
 SDZ-205557

 41 41  0  0  0  0  0  0  0  0999 V2000
    2.7082    2.1675    7.2518 C   0  0  0  0  0
    2.4901    1.9596    5.7567 C   0  0  0  0  0
    3.7161    1.6778    4.9856 N   0  0  0  0  0
    4.4926    0.5352    5.4896 C   0  0  0  0  0
    3.7858   -0.8163    5.4797 C   0  0  0  0  0
    3.3692    1.5695    3.5530 C   0  0  0  0  0
    4.5402    1.3241    2.5884 C   0  0  0  0  0
    4.0766    1.4861    1.2379 O   0  0  0  0  0
    3.6092    0.3787    0.6162 C   0  0  0  0  0
    3.5442   -0.7377    1.1066 O   0  0  0  0  0
    3.0449    0.7139   -0.7241 C   0  0  0  0  0
    2.1327   -0.2081   -1.2625 C   0  0  0  0  0
    1.4942    0.0584   -2.4733 C   0  0  0  0  0
    1.7128    1.2666   -3.1558 C   0  0  0  0  0
    2.6889    2.1382   -2.6581 C   0  0  0  0  0
    3.3442    1.8842   -1.4434 C   0  0  0  0  0
    4.3604    2.6931   -1.0058 O   0  0  0  0  0
    4.1115    4.0918   -1.1146 C   0  0  0  0  0
    1.1606    1.5152   -4.4252 N   0  0  0  0  0
    0.3889   -1.1172   -3.0990 Cl  0  0  0  0  0
    1.7719    2.4874    7.7209 H   0  0  0  0  0
    3.4601    2.9404    7.4400 H   0  0  0  0  0
    3.0200    1.2451    7.7510 H   0  0  0  0  0
    2.0439    2.8852    5.3704 H   0  0  0  0  0
    1.7435    1.1690    5.6119 H   0  0  0  0  0
    4.8345    0.7488    6.5086 H   0  0  0  0  0
    5.4262    0.4501    4.9211 H   0  0  0  0  0
    3.4590   -1.0985    4.4748 H   0  0  0  0  0
    2.9161   -0.8217    6.1431 H   0  0  0  0  0
    4.4726   -1.5931    5.8321 H   0  0  0  0  0
    2.8965    2.5099    3.2411 H   0  0  0  0  0
    2.6067    0.7966    3.3898 H   0  0  0  0  0
    4.9964    0.3368    2.7235 H   0  0  0  0  0
    5.3242    2.0719    2.7460 H   0  0  0  0  0
    1.9197   -1.1368   -0.7341 H   0  0  0  0  0
    2.9586    3.0078   -3.2510 H   0  0  0  0  0
    3.1009    4.3516   -0.7804 H   0  0  0  0  0
    4.2860    4.4382   -2.1380 H   0  0  0  0  0
    4.8242    4.6074   -0.4645 H   0  0  0  0  0
    1.0431    2.4991   -4.6474 H   0  0  0  0  0
    0.3147    0.9736   -4.5978 H   0  0  0  0  0
  1  2  1  0  0  0
  1 21  1  0  0  0
  1 22  1  0  0  0
  1 23  1  0  0  0
  2  3  1  0  0  0
  2 24  1  0  0  0
  2 25  1  0  0  0
  3  6  1  0  0  0
  3  4  1  0  0  0
  4  5  1  0  0  0
  4 26  1  0  0  0
  4 27  1  0  0  0
  5 28  1  0  0  0
  5 29  1  0  0  0
  5 30  1  0  0  0
  6  7  1  0  0  0
  6 31  1  0  0  0
  6 32  1  0  0  0
  7  8  1  0  0  0
  7 33  1  0  0  0
  7 34  1  0  0  0
  8  9  1  0  0  0
  9 11  1  0  0  0
  9 10  2  0  0  0
 11 12  2  0  0  0
 11 16  1  0  0  0
 12 13  1  0  0  0
 12 35  1  0  0  0
 13 14  2  0  0  0
 13 20  1  0  0  0
 14 15  1  0  0  0
 14 19  1  0  0  0
 15 16  2  0  0  0
 15 36  1  0  0  0
 16 17  1  0  0  0
 17 18  1  0  0  0
 18 37  1  0  0  0
 18 38  1  0  0  0
 18 39  1  0  0  0
 19 40  1  0  0  0
 19 41  1  0  0  0
M  END

>  <Chemical Name>
SDZ-205557

>  <PubChem CID>
5191

>  <Formula>
C14H21ClN2O3

>  <Molecular Weight>
300.783000

>  <IUPAC Name>
2-(diethylamino)ethyl 4-amino-5-chloro-2-methoxybenzoate

>  <XlogP>
3.200

>  <Hydrogen Bond Donors>
1

>  <Hydrogen Bond Acceptors>
5

>  <Canonical SMILES>
CCN(CC)CCOC(=O)C1=CC(=C(C=C1OC)N)Cl

>  <Isomeric SMILES>
CCN(CC)CCOC(=O)C1=CC(=C(C=C1OC)N)Cl

>  <InChI Std. ID>
InChI=1S/C14H21ClN2O3/c1-4-17(5-2)6-7-20-14(18)10-8-11(15)12(16)9-13(10)19-3/h8-9H,4-7,16H2,1-3H3

>  <InChI Key>
FFNWMBDISAYHDC-UHFFFAOYSA-N

