
 CHEMBL596706

 49 51  0  0  0  0  0  0  0  0999 V2000
    0.9547    0.2443    0.0227 C   0  0  0  0  0
    2.4254    0.1205    0.3661 C   0  0  0  0  0
    3.1242    1.1696   -0.2997 O   0  0  0  0  0
    4.5461    1.1523   -0.0514 C   0  0  0  0  0
    5.1630    0.6471   -1.3524 C   0  0  0  0  0
    5.3635    1.4851   -2.4632 C   0  0  0  0  0
    5.9127    0.9879   -3.6484 C   0  0  0  0  0
    6.2383   -0.3610   -3.7482 C   0  0  0  0  0
    6.0222   -1.2160   -2.6717 C   0  0  0  0  0
    5.4893   -0.7148   -1.4800 C   0  0  0  0  0
    6.8991   -0.9760   -5.2126 Cl  0  0  0  0  0
    4.9613    2.5900    0.3895 C   0  0  0  0  0
    4.3176    2.9506    1.6583 N   0  0  0  0  0
    4.6997    2.6098    2.9289 C   0  0  0  0  0
    3.7834    3.2212    3.7535 C   0  0  0  0  0
    2.8434    3.8949    3.0208 N   0  0  0  0  0
    3.1804    3.7056    1.7651 C   0  0  0  0  0
    6.7936    2.8520    0.4438 S   0  0  0  0  0
    6.8787    4.6798    0.6492 C   0  0  0  0  0
    6.2657    5.4233   -0.5450 C   0  0  0  0  0
    6.4612    6.9341   -0.4319 C   0  0  0  0  0
    7.9290    7.3004   -0.2590 C   0  0  0  0  0
    8.5431    6.5744    0.9326 C   0  0  0  0  0
    8.3571    5.0610    0.8266 C   0  0  0  0  0
    0.3713   -0.5404    0.5119 H   0  0  0  0  0
    0.8054    0.1740   -1.0598 H   0  0  0  0  0
    0.5679    1.2201    0.3344 H   0  0  0  0  0
    2.8048   -0.8519    0.0351 H   0  0  0  0  0
    2.5639    0.2130    1.4487 H   0  0  0  0  0
    4.7882    0.4541    0.7627 H   0  0  0  0  0
    5.0944    2.5376   -2.4291 H   0  0  0  0  0
    6.0744    1.6564   -4.4895 H   0  0  0  0  0
    6.2615   -2.2731   -2.7530 H   0  0  0  0  0
    5.3215   -1.4016   -0.6527 H   0  0  0  0  0
    4.5493    3.2834   -0.3484 H   0  0  0  0  0
    5.5684    2.0034    3.1423 H   0  0  0  0  0
    3.7510    3.2110    4.8352 H   0  0  0  0  0
    2.6421    4.0848    0.9058 H   0  0  0  0  0
    6.3415    4.9480    1.5660 H   0  0  0  0  0
    5.1896    5.2398   -0.6149 H   0  0  0  0  0
    6.7158    5.0744   -1.4833 H   0  0  0  0  0
    6.0608    7.4234   -1.3271 H   0  0  0  0  0
    5.8855    7.3120    0.4225 H   0  0  0  0  0
    8.4803    7.0408   -1.1710 H   0  0  0  0  0
    8.0258    8.3832   -0.1233 H   0  0  0  0  0
    9.6114    6.8101    0.9949 H   0  0  0  0  0
    8.0810    6.9350    1.8597 H   0  0  0  0  0
    8.9508    4.6971   -0.0229 H   0  0  0  0  0
    8.7670    4.5923    1.7300 H   0  0  0  0  0
  1  2  1  0  0  0
  1 25  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
  4 12  1  0  0  0
  4  5  1  0  0  0
  4 30  1  0  0  0
  5  6  2  0  0  0
  5 10  1  0  0  0
  6  7  1  0  0  0
  6 31  1  0  0  0
  7  8  2  0  0  0
  7 32  1  0  0  0
  8  9  1  0  0  0
  8 11  1  0  0  0
  9 10  2  0  0  0
  9 33  1  0  0  0
 10 34  1  0  0  0
 12 18  1  0  0  0
 12 13  1  0  0  0
 12 35  1  0  0  0
 13 14  1  0  0  0
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 14 15  2  0  0  0
 14 36  1  0  0  0
 15 16  1  0  0  0
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M  END

>  <Chemical Name>
CHEMBL596706

>  <PubChem CID>
46230800

>  <Formula>
C19H25ClN2OS

>  <Molecular Weight>
364.932000

>  <IUPAC Name>
1-[2-(4-chlorophenyl)-1-cyclohexylsulfanyl-2-ethoxyethyl]imidazole

>  <XlogP>
4.9

>  <Hydrogen Bond Donors>
0

>  <Hydrogen Bond Acceptors>
3

>  <Canonical SMILES>
CCOC(C1=CC=C(C=C1)Cl)C(N2C=CN=C2)SC3CCCCC3

>  <Isomeric SMILES>
CCOC(C1=CC=C(C=C1)Cl)C(N2C=CN=C2)SC3CCCCC3

>  <InChI Std. ID>
InChI=1S/C19H25ClN2OS/c1-2-23-18(15-8-10-16(20)11-9-15)19(22-13-12-21-14-22)24-17-6-4-3-5-7-17/h8-14,17-19H,2-7H2,1H3

>  <InChI Key>
AIFQXDRBVDUMGY-UHFFFAOYSA-N

