Chemical ID: 6120403

COc1ccc(cc1)N2C(=O)C(=Cc3ccccc3OCc4ccccc4Cl)SC2=S
Chemical ID:
6120403
Name [?]:
5-[[2-[(2-chlorophenyl)methoxy]phenyl]methylene]-3-(4-methoxyphenyl)-2-thioxo-thiazolidin-4-one
SMILES [?]:
COc1ccc(cc1)N2C(=O)C(=Cc3ccccc3OCc4ccccc4Cl)SC2=S
InChi [?]:
InChI=1/C24H18ClNO3S2/c1-28-19-12-10-18(11-13-19)26-23(27)22(31-24(26)30)14-16-6-3-5-9-21(16)29-15-17-7-2-4-8-20(17)25/h2-14H,15H2,1H3
InChi Info:
AuxInfo=1/0/N:1,24,16,25,17,15,23,26,18,5,7,4,8,13,21,14,22,6,3,27,19,12,10,30,28,9,11,2,20,31,29/E:(10,11)(12,13)/rA:31nCOCCCCCCNCOCCCCCCCCOCCCCCCCClSCS/rB:s1;s2;s3;d4;s5;d6;d3s7;s6;s9;d10;s10;w12;s13;s14;d15;s16;d17;d14s18;s19;s20;s21;s22;d23;s24;d25;d22s26;s27;s12;s9s29;d30;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C24H18ClNO3S2
All Atoms:31
Heavy Atoms:31
Chiral Atoms:0
ZAP Information [?]
Total:13.1317
Area:679.661
Solvation:-3.85987
Coulombic:-36.8516
Bond Count [?]
All:34
Single:22
Double:12
Rotors:6
Chiral:1
Rigid Segments:6
Chemical Properties
Molecular Weight:467.989
H-Bond Donors:0
H-Bond Acceptors:4
XLogP:5.55
LogP (Chemaxon):6.28

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