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Chemical ID: 7142947
Chemical ID:
7142947
Name [?]:
2-[5-[(3,4-dimethoxyphenyl)methylene]-4-oxo-thiazol-2-yl]aminobenzoic acid
SMILES [?]:
COc1ccc(cc1OC)C=C2C(=O)N=C(S2)Nc3ccccc3C(=O)O
InChi [?]:
InChI=1/C19H16N2O5S/c1-25-14-8-7-11(9-15(14)26-2)10-16-17(22)21-19(27-16)20-13-6-4-3-5-12(13)18(23)24/h3-10H,1-2H3,(H,23,24)(H,20,21,22)
InChi Info:
AuxInfo=1/1/N:1,10,22,21,23,20,5,4,7,11,6,24,19,3,8,12,13,25,16,18,15,14,26,27,2,9,17/E:(23,24)/rA:27nCOCCCCCCOCCCCONCSNCCCCCCCOO/rB:s1;s2;s3;d4;s5;d6;d3s7;s8;s9;s6;w11;s12;d13;s13;d15;s12s16;s16;s18;s19;d20;s21;d22;d19s23;s24;d25;s25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C19H16N2O5S |
All Atoms: | 43 |
Heavy Atoms: | 27 |
Chiral Atoms: | None |
ZAP Information [?]
Total: | 8.74454 |
Area: | 584.116 |
Solvation: | -5.85836 |
Coulombic: | -70.9561 |
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: | 3.17 |
LogP (Chemaxon): | None |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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