
 CID 15005355

 70 74  0  0  0  0  0  0  0  0999 V2000
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M  END

>  <Chemical Name>
CID 15005355

>  <PubChem CID>
15005355

>  <Formula>
C32H29ClN4O3S

>  <Molecular Weight>
585.119000

>  <IUPAC Name>
ethyl 4-(2-chlorophenyl)-2-[4-(2,4-dimethyl-1,3-thiazol-5-yl)phenyl]-6-methyl-5-(pyridin-2-ylcarbamoyl)-1,4-dihydropyridine-3-carboxylate

>  <XlogP>
6.5

>  <Hydrogen Bond Donors>
2

>  <Hydrogen Bond Acceptors>
7

>  <Canonical SMILES>
CCOC(=O)C1=C(NC(=C(C1C2=CC=CC=C2Cl)C(=O)NC3=CC=CC=N3)C)C4=CC=C(C=C4)C5=C(N=C(S5)C)C

>  <Isomeric SMILES>
CCOC(=O)C1=C(NC(=C(C1C2=CC=CC=C2Cl)C(=O)NC3=CC=CC=N3)C)C4=CC=C(C=C4)C5=C(N=C(S5)C)C

>  <InChI Std. ID>
InChI=1S/C32H29ClN4O3S/c1-5-40-32(39)28-27(23-10-6-7-11-24(23)33)26(31(38)37-25-12-8-9-17-34-25)18(2)36-29(28)21-13-15-22(16-14-21)30-19(3)35-20(4)41-30/h6-17,27,36H,5H2,1-4H3,(H,34,37,38)

>  <InChI Key>
IEHJPYAALFZMBX-UHFFFAOYSA-N

