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Chemical ID: 7142939
Chemical ID:
7142939
Name [?]:
2-[5-[(2,5-dimethoxyphenyl)methylene]-4-oxo-thiazol-2-yl]aminobenzoic acid
SMILES [?]:
COc1ccc(c(c1)C=C2C(=O)N=C(S2)Nc3ccccc3C(=O)O)OC
InChi [?]:
InChI=1/C19H16N2O5S/c1-25-12-7-8-15(26-2)11(9-12)10-16-17(22)21-19(27-16)20-14-6-4-3-5-13(14)18(23)24/h3-10H,1-2H3,(H,23,24)(H,20,21,22)
InChi Info:
AuxInfo=1/1/N:1,27,20,19,21,18,4,5,8,9,7,3,22,17,6,10,11,23,14,16,13,12,24,25,2,26,15/E:(23,24)/rA:27nCOCCCCCCCCCONCSNCCCCCCCOOOC/rB:s1;s2;s3;d4;s5;d6;d3s7;s7;w9;s10;d11;s11;d13;s10s14;s14;s16;s17;d18;s19;d20;d17s21;s22;d23;s23;s6;s26;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C19H16N2O5S |
All Atoms: | 43 |
Heavy Atoms: | 27 |
Chiral Atoms: | None |
ZAP Information [?]
Total: | 9.69444 |
Area: | 585.315 |
Solvation: | -4.93843 |
Coulombic: | -71.1566 |
Bond Count [?]
All: | 29 |
Single: | 19 |
Double: | 10 |
Rotors: | 6 |
Chiral: | None |
Rigid Segments: | None |
Chemical Properties
Molecular Weight: | None |
H-Bond Donors: | None |
H-Bond Acceptors: | None |
XLogP: | 3.44 |
LogP (Chemaxon): | None |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
Note: All annotations are abbreviated. For more detailed information please download chemical.
Chemical Mix | Source | External ID | Descriptor | Value |
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