Chemical ID: 7142186

COc1ccc(c(c1)OC)N2C(=O)C(=Cc3ccc(cc3)Cl)SC2=S
Chemical ID:
7142186
Name [?]:
5-[(4-chlorophenyl)methylene]-3-(2,4-dimethoxyphenyl)-2-thioxo-thiazolidin-4-one
SMILES [?]:
COc1ccc(c(c1)OC)N2C(=O)C(=Cc3ccc(cc3)Cl)SC2=S
InChi [?]:
InChI=1/C18H14ClNO3S2/c1-22-13-7-8-14(15(10-13)23-2)20-17(21)16(25-18(20)24)9-11-3-5-12(19)6-4-11/h3-10H,1-2H3
InChi Info:
AuxInfo=1/0/N:1,10,17,21,18,20,4,5,15,8,16,19,3,6,7,14,12,24,22,11,13,2,9,25,23/E:(3,4)(5,6)/rA:25nCOCCCCCCOCNCOCCCCCCCCClSCS/rB:s1;s2;s3;d4;s5;d6;d3s7;s7;s9;s6;s11;d12;s12;w14;s15;s16;d17;s18;d19;d16s20;s19;s14;s11s23;d24;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C18H14ClNO3S2
All Atoms:39
Heavy Atoms:25
Chiral Atoms:None
ZAP Information [?]
Total:10.4935
Area:579.775
Solvation:-4.00091
Coulombic:-34.4465
Bond Count [?]
All:27
Single:18
Double:9
Rotors:4
Chiral:None
Rigid Segments:None
Chemical Properties
Molecular Weight:None
H-Bond Donors:None
H-Bond Acceptors:None
XLogP:3.85
LogP (Chemaxon):None

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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