Chemical ID: 4316559

COc1ccccc1N2C(=O)C(=Cc3ccc(cc3)Cl)SC2=O
Chemical ID:
4316559
Name [?]:
5-[(4-chlorophenyl)methylene]-3-(2-methoxyphenyl)-thiazolidine-2,4-dione
SMILES [?]:
COc1ccccc1N2C(=O)C(=Cc3ccc(cc3)Cl)SC2=O
InChi [?]:
InChI=1/C17H12ClNO3S/c1-22-14-5-3-2-4-13(14)19-16(20)15(23-17(19)21)10-11-6-8-12(18)9-7-11/h2-10H,1H3
InChi Info:
AuxInfo=1/0/N:1,6,5,7,4,15,19,16,18,13,14,17,8,3,12,10,22,20,9,11,23,2,21/E:(6,7)(8,9)/rA:23nCOCCCCCCNCOCCCCCCCCClSCO/rB:s1;s2;s3;d4;s5;d6;d3s7;s8;s9;d10;s10;w12;s13;s14;d15;s16;d17;d14s18;s17;s12;s9s21;d22;/rC:;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C17H12ClNO3S
All Atoms:23
Heavy Atoms:23
Chiral Atoms:0
ZAP Information [?]
Total:9.40828
Area:520.841
Solvation:-3.61274
Coulombic:-36.9714
Bond Count [?]
All:25
Single:16
Double:9
Rotors:3
Chiral:1
Rigid Segments:4
Chemical Properties
Molecular Weight:345.801
H-Bond Donors:0
H-Bond Acceptors:4
XLogP:3.68
LogP (Chemaxon):4.02

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