Chemical ID: 7136938

Cc1cccc(c1C)N2C(=O)C(=Cc3ccc(cc3O)O)SC2=S
Chemical ID:
7136938
Name [?]:
5-[(2,4-dihydroxyphenyl)methylene]-3-(2,3-dimethylphenyl)-2-thioxo-thiazolidin-4-one
SMILES [?]:
Cc1cccc(c1C)N2C(=O)C(=Cc3ccc(cc3O)O)SC2=S
InChi [?]:
InChI=1/C18H15NO3S2/c1-10-4-3-5-14(11(10)2)19-17(22)16(24-18(19)23)8-12-6-7-13(20)9-15(12)21/h3-9,20-21H,1-2H3
InChi Info:
AuxInfo=1/0/N:1,8,4,3,5,15,16,13,18,2,7,14,17,6,19,12,10,23,9,21,20,11,24,22/rA:24nCCCCCCCCNCOCCCCCCCCOOSCS/rB:s1;s2;d3;s4;d5;d2s6;s7;s6;s9;d10;s10;w12;s13;s14;d15;s16;d17;d14s18;s19;s17;s12;s9s22;d23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C18H15NO3S2
All Atoms:39
Heavy Atoms:24
Chiral Atoms:0
ZAP Information [?]
Total:10.1141
Area:539.423
Solvation:-3.37142
Coulombic:-51.097
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:3.24
LogP (Chemaxon):4.85

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