
 1-[(2-chlorophenyl)sulfanyl]-3-[4-(2-fluorophenyl)piperazino]-2-propanol

 47 49  0  0  0  0  0  0  0  0999 V2000
    0.2200    1.3295   -0.0930 C   0  0  0  0  0
   -1.2553    1.0060    0.2650 C   0  0  0  0  0
   -1.7060   -0.2527   -0.3652 N   0  0  0  0  0
   -0.7627   -1.3772   -0.2257 C   0  0  0  0  0
    0.6868   -0.9679   -0.5766 C   0  0  0  0  0
    1.1954    0.2301    0.1391 N   0  0  0  0  0
    1.3913    0.0114    1.5848 C   0  0  0  0  0
    2.4178   -1.0712    1.9880 C   0  0  0  0  0
    3.8254   -0.7815    1.4493 C   0  0  0  0  0
    4.9492   -2.1436    1.9580 S   0  0  0  0  0
    6.4816   -1.5310    1.2664 C   0  0  0  0  0
    7.3006   -0.7544    2.0995 C   0  0  0  0  0
    8.5326   -0.2777    1.6455 C   0  0  0  0  0
    8.9631   -0.5765    0.3554 C   0  0  0  0  0
    8.1599   -1.3494   -0.4833 C   0  0  0  0  0
    6.9238   -1.8274   -0.0332 C   0  0  0  0  0
    5.9932   -2.7843   -1.1341 Cl  0  0  0  0  0
    2.4456   -1.1181    3.4257 O   0  0  0  0  0
   -2.5270   -0.1436   -1.4894 C   0  0  0  0  0
   -3.7346    0.5733   -1.3809 C   0  0  0  0  0
   -4.6255    0.6973   -2.4541 C   0  0  0  0  0
   -4.3310    0.1039   -3.6765 C   0  0  0  0  0
   -3.1493   -0.6155   -3.8175 C   0  0  0  0  0
   -2.2699   -0.7391   -2.7381 C   0  0  0  0  0
   -1.1411   -1.4341   -2.9514 F   0  0  0  0  0
    0.2678    1.5987   -1.1567 H   0  0  0  0  0
    0.5372    2.2279    0.4509 H   0  0  0  0  0
   -1.8748    1.8650   -0.0181 H   0  0  0  0  0
   -1.3610    0.9014    1.3510 H   0  0  0  0  0
   -0.7958   -1.7102    0.8191 H   0  0  0  0  0
   -1.0701   -2.2521   -0.8096 H   0  0  0  0  0
    1.3569   -1.8204   -0.4238 H   0  0  0  0  0
    0.7486   -0.7528   -1.6507 H   0  0  0  0  0
    0.4460   -0.2219    2.0900 H   0  0  0  0  0
    1.7248    0.9567    2.0360 H   0  0  0  0  0
    2.0663   -2.0524    1.6497 H   0  0  0  0  0
    4.2099    0.1511    1.8759 H   0  0  0  0  0
    3.8264   -0.7056    0.3582 H   0  0  0  0  0
    6.9893   -0.5204    3.1157 H   0  0  0  0  0
    9.1586    0.3202    2.3039 H   0  0  0  0  0
    9.9256   -0.2124    0.0039 H   0  0  0  0  0
    8.5058   -1.5828   -1.4875 H   0  0  0  0  0
    3.1393   -1.7646    3.6586 H   0  0  0  0  0
   -4.0125    1.0166   -0.4268 H   0  0  0  0  0
   -5.5536    1.2484   -2.3244 H   0  0  0  0  0
   -5.0206    0.1951   -4.5112 H   0  0  0  0  0
   -2.8987   -1.0876   -4.7622 H   0  0  0  0  0
  1  6  1  0  0  0
  1  2  1  0  0  0
  1 26  1  0  0  0
  1 27  1  0  0  0
  2  3  1  0  0  0
  2 28  1  0  0  0
  2 29  1  0  0  0
  3  4  1  0  0  0
  3 19  1  0  0  0
  4  5  1  0  0  0
  4 30  1  0  0  0
  4 31  1  0  0  0
  5  6  1  0  0  0
  5 32  1  0  0  0
  5 33  1  0  0  0
  6  7  1  0  0  0
  7  8  1  0  0  0
  7 34  1  0  0  0
  7 35  1  0  0  0
  8 18  1  0  0  0
  8  9  1  0  0  0
  8 36  1  0  0  0
  9 10  1  0  0  0
  9 37  1  0  0  0
  9 38  1  0  0  0
 10 11  1  0  0  0
 11 12  2  0  0  0
 11 16  1  0  0  0
 12 13  1  0  0  0
 12 39  1  0  0  0
 13 14  2  0  0  0
 13 40  1  0  0  0
 14 15  1  0  0  0
 14 41  1  0  0  0
 15 16  2  0  0  0
 15 42  1  0  0  0
 16 17  1  0  0  0
 18 43  1  0  0  0
 19 20  2  0  0  0
 19 24  1  0  0  0
 20 21  1  0  0  0
 20 44  1  0  0  0
 21 22  2  0  0  0
 21 45  1  0  0  0
 22 23  1  0  0  0
 22 46  1  0  0  0
 23 24  2  0  0  0
 23 47  1  0  0  0
 24 25  1  0  0  0
M  END

>  <Chemical Name>
1-[(2-chlorophenyl)sulfanyl]-3-[4-(2-fluorophenyl)piperazino]-2-propanol

>  <PubChem CID>
4562984

>  <Formula>
C19H22ClFN2OS

>  <Molecular Weight>
380.906000

>  <IUPAC Name>
1-(2-chlorophenyl)sulfanyl-3-[4-(2-fluorophenyl)piperazin-1-yl]propan-2-ol

>  <XlogP>
4.2

>  <Hydrogen Bond Donors>
1

>  <Hydrogen Bond Acceptors>
5

>  <Canonical SMILES>
C1CN(CCN1CC(CSC2=CC=CC=C2Cl)O)C3=CC=CC=C3F

>  <Isomeric SMILES>
C1CN(CCN1CC(CSC2=CC=CC=C2Cl)O)C3=CC=CC=C3F

>  <InChI Std. ID>
InChI=1S/C19H22ClFN2OS/c20-16-5-1-4-8-19(16)25-14-15(24)13-22-9-11-23(12-10-22)18-7-3-2-6-17(18)21/h1-8,15,24H,9-14H2

>  <InChI Key>
AJYMPTJHOJJOAX-UHFFFAOYSA-N

