Chemical ID: 4314615

Cc1ccc(cc1C)N2C(=O)C(=Cc3ccc(c(c3)O)O)SC2=S
Chemical ID:
4314615
Name [?]:
5-[(3,4-dihydroxyphenyl)methylene]-3-(3,4-dimethylphenyl)-2-thioxo-thiazolidin-4-one
SMILES [?]:
Cc1ccc(cc1C)N2C(=O)C(=Cc3ccc(c(c3)O)O)SC2=S
InChi [?]:
InChI=1/C18H15NO3S2/c1-10-3-5-13(7-11(10)2)19-17(22)16(24-18(19)23)9-12-4-6-14(20)15(21)8-12/h3-9,20-21H,1-2H3
InChi Info:
AuxInfo=1/0/N:1,8,3,15,4,16,6,19,13,2,7,14,5,17,18,12,10,23,9,21,20,11,24,22/rA:24nCCCCCCCCNCOCCCCCCCCOOSCS/rB:s1;s2;d3;s4;d5;d2s6;s7;s5;s9;d10;s10;w12;s13;s14;d15;s16;d17;d14s18;s18;s17;s12;s9s22;d23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C18H15NO3S2
All Atoms:24
Heavy Atoms:24
Chiral Atoms:0
ZAP Information [?]
Total:9.79876
Area:543.897
Solvation:-3.79867
Coulombic:-51.1009
Bond Count [?]
All:26
Single:17
Double:9
Rotors:2
Chiral:1
Rigid Segments:3
Chemical Properties
Molecular Weight:357.449
H-Bond Donors:2
H-Bond Acceptors:4
XLogP:3.88
LogP (Chemaxon):4.85

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