4-{[6-(4H-1,2,4-triazol-4-yl)pyridine-2-carbonyl]amino}benzoic acid
Chemical Structure Depiction of
4-{[6-(4H-1,2,4-triazol-4-yl)pyridine-2-carbonyl]amino}benzoic acid
4-{[6-(4H-1,2,4-triazol-4-yl)pyridine-2-carbonyl]amino}benzoic acid
Compound characteristics
| Compound ID: | J015-0027 |
| Compound Name: | 4-{[6-(4H-1,2,4-triazol-4-yl)pyridine-2-carbonyl]amino}benzoic acid |
| Molecular Weight: | 309.28 |
| Molecular Formula: | C15 H11 N5 O3 |
| Smiles: | c1cc(C(Nc2ccc(cc2)C(O)=O)=O)nc(c1)n1cnnc1 |
| Stereo: | ACHIRAL |
| logP: | 1.9463 |
| logD: | -0.4489 |
| logSw: | -2.4418 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 85.849 |
| InChI Key: | PGGBHSPPAYFMTD-UHFFFAOYSA-N |