Chemical ID: 7143494

Cc1ccc(cc1C(=O)O)N2C(=O)C(=Cc3ccc(cc3)C(=O)O)SC2=S
Chemical ID:
7143494
Name [?]:
5-[5-[(4-carboxyphenyl)methylene]-4-oxo-2-thioxo-thiazolidin-3-yl]-2-methyl-benzoic acid
SMILES [?]:
Cc1ccc(cc1C(=O)O)N2C(=O)C(=Cc3ccc(cc3)C(=O)O)SC2=S
InChi [?]:
InChI=1/C19H13NO5S2/c1-10-2-7-13(9-14(10)18(24)25)20-16(21)15(27-19(20)26)8-11-3-5-12(6-4-11)17(22)23/h2-9H,1H3,(H,22,23)(H,24,25)
InChi Info:
AuxInfo=1/1/N:1,3,17,21,18,20,4,15,6,2,16,19,5,7,14,12,22,8,26,11,13,23,24,9,10,27,25/E:(3,4)(5,6)(22,23)(24,25)/rA:27nCCCCCCCCOONCOCCCCCCCCCOOSCS/rB:s1;s2;d3;s4;d5;d2s6;s7;d8;s8;s5;s11;d12;s12;w14;s15;s16;d17;s18;d19;d16s20;s19;d22;s22;s14;s11s25;d26;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C19H13NO5S2
All Atoms:40
Heavy Atoms:27
Chiral Atoms:0
ZAP Information [?]
Total:11.5336
Area:591.841
Solvation:-3.26244
Coulombic:-74.4895
Bond Count [?]
All:29
Single:18
Double:11
Rotors:4
Chiral:1
Rigid Segments:5
Chemical Properties
Molecular Weight:399.442
H-Bond Donors:2
H-Bond Acceptors:6
XLogP:3.06
LogP (Chemaxon):3.99

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