4-{[3-bromo-6-(4H-1,2,4-triazol-4-yl)pyridine-2-carbonyl]amino}benzoic acid
Chemical Structure Depiction of
4-{[3-bromo-6-(4H-1,2,4-triazol-4-yl)pyridine-2-carbonyl]amino}benzoic acid
4-{[3-bromo-6-(4H-1,2,4-triazol-4-yl)pyridine-2-carbonyl]amino}benzoic acid
Compound characteristics
| Compound ID: | J015-0205 |
| Compound Name: | 4-{[3-bromo-6-(4H-1,2,4-triazol-4-yl)pyridine-2-carbonyl]amino}benzoic acid |
| Molecular Weight: | 388.18 |
| Molecular Formula: | C15 H10 Br N5 O3 |
| Smiles: | c1cc(ccc1C(O)=O)NC(c1c(ccc(n1)n1cnnc1)[Br])=O |
| Stereo: | ACHIRAL |
| logP: | 2.6471 |
| logD: | 0.2519 |
| logSw: | -3.2589 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 86.619 |
| InChI Key: | QGAHRWHXVPQPGQ-UHFFFAOYSA-N |