Chemical ID: 7143160

Cc1ccc(cc1NC2=NC(=O)C(=Cc3ccco3)S2)C(=O)O
Chemical ID:
7143160
Name [?]:
3-[5-(2-furylmethylene)-4-oxo-thiazol-2-yl]amino-4-methyl-benzoic acid
SMILES [?]:
Cc1ccc(cc1NC2=NC(=O)C(=Cc3ccco3)S2)C(=O)O
InChi [?]:
InChI=1/C16H12N2O4S/c1-9-4-5-10(15(20)21)7-12(9)17-16-18-14(19)13(23-16)8-11-3-2-6-22-11/h2-8H,1H3,(H,20,21)(H,17,18,19)
InChi Info:
AuxInfo=1/1/N:1,17,16,3,4,18,6,14,2,5,15,7,13,11,21,9,8,10,12,22,23,19,20/E:(20,21)/rA:23nCCCCCCCNCNCOCCCCCCOSCOO/rB:s1;s2;d3;s4;d5;d2s6;s7;s8;d9;s10;d11;s11;w13;s14;d15;s16;d17;s15s18;s9s13;s5;d21;s21;/rC:;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C16H12N2O4S
All Atoms:35
Heavy Atoms:23
Chiral Atoms:None
ZAP Information [?]
Total:8.03067
Area:502.249
Solvation:-4.52555
Coulombic:-60.3146
Bond Count [?]
All:25
Single:16
Double:9
Rotors:4
Chiral:None
Rigid Segments:None
Chemical Properties
Molecular Weight:None
H-Bond Donors:None
H-Bond Acceptors:None
XLogP:1.9
LogP (Chemaxon):None

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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