Chemical ID: 6466985

Cc1ccc(cc1)C=C2C(=O)N(C(=Nc3ccc(cc3)C(=O)O)S2)C
Chemical ID:
6466985
Name [?]:
4-[3-methyl-4-oxo-5-(p-tolylmethylene)thiazolidin-2-ylidene]aminobenzoic acid
SMILES [?]:
Cc1ccc(cc1)C=C2C(=O)N(C(=Nc3ccc(cc3)C(=O)O)S2)C
InChi [?]:
InChI=1/C19H16N2O3S/c1-12-3-5-13(6-4-12)11-16-17(22)21(2)19(25-16)20-15-9-7-14(8-10-15)18(23)24/h3-11H,1-2H3,(H,23,24)
InChi Info:
AuxInfo=1/1/N:1,25,3,7,4,6,17,19,16,20,8,2,5,18,15,9,10,21,13,14,12,11,22,23,24/E:(3,4)(5,6)(7,8)(9,10)(23,24)/rA:25nCCCCCCCCCCONCNCCCCCCCOOSC/rB:s1;s2;d3;s4;d5;d2s6;s5;w8;s9;d10;s10;s12;w13;s14;s15;d16;s17;d18;d15s19;s18;d21;s21;s9s13;s12;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C19H16N2O3S
All Atoms:25
Heavy Atoms:25
Chiral Atoms:0
ZAP Information [?]
Total:10.7285
Area:543.242
Solvation:-2.85259
Coulombic:-52.8314
Bond Count [?]
All:27
Single:17
Double:10
Rotors:3
Chiral:2
Rigid Segments:4
Chemical Properties
Molecular Weight:352.408
H-Bond Donors:1
H-Bond Acceptors:5
XLogP:3.29
LogP (Chemaxon):4.43

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Descriptor Annotations

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