Chemical ID: 7143575

CCc1ccc(cc1)C=C2C(=O)N(C(=S)S2)c3ccc(c(c3)O)C(=O)O
Chemical ID:
7143575
Name [?]:
4-[5-[(4-ethylphenyl)methylene]-4-oxo-2-thioxo-thiazolidin-3-yl]-2-hydroxy-benzoic acid
SMILES [?]:
CCc1ccc(cc1)C=C2C(=O)N(C(=S)S2)c3ccc(c(c3)O)C(=O)O
InChi [?]:
InChI=1/C19H15NO4S2/c1-2-11-3-5-12(6-4-11)9-16-17(22)20(19(25)26-16)13-7-8-14(18(23)24)15(21)10-13/h3-10,21H,2H2,1H3,(H,23,24)
InChi Info:
AuxInfo=1/1/N:1,2,4,8,5,7,18,19,9,22,3,6,17,20,21,10,11,24,14,13,23,12,25,26,15,16/E:(3,4)(5,6)(23,24)/rA:26nCCCCCCCCCCCONCSSCCCCCCOCOO/rB:s1;s2;s3;d4;s5;d6;d3s7;s6;w9;s10;d11;s11;s13;d14;s10s14;s13;s17;d18;s19;d20;d17s21;s21;s20;d24;s24;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C19H15NO4S2
All Atoms:41
Heavy Atoms:26
Chiral Atoms:0
ZAP Information [?]
Total:10.9962
Area:584.312
Solvation:-3.61157
Coulombic:-62.4674
Bond Count [?]
All:28
Single:18
Double:10
Rotors:4
Chiral:1
Rigid Segments:5
Chemical Properties
Molecular Weight:385.459
H-Bond Donors:2
H-Bond Acceptors:5
XLogP:4.7
LogP (Chemaxon):5.23

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