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Chemical ID: 7143160
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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