3-[(2H-[3,4'-bi-1,2,4-triazole]-5-carbonyl)amino]benzoic acid
Chemical Structure Depiction of
3-[(2H-[3,4'-bi-1,2,4-triazole]-5-carbonyl)amino]benzoic acid
3-[(2H-[3,4'-bi-1,2,4-triazole]-5-carbonyl)amino]benzoic acid
Compound characteristics
| Compound ID: | 8018-2392 |
| Compound Name: | 3-[(2H-[3,4'-bi-1,2,4-triazole]-5-carbonyl)amino]benzoic acid |
| Molecular Weight: | 299.25 |
| Molecular Formula: | C12 H9 N7 O3 |
| Smiles: | c1cc(cc(c1)NC(c1nc([nH]n1)n1cnnc1)=O)C(O)=O |
| Stereo: | ACHIRAL |
| logP: | 0.6929 |
| logD: | -2.1929 |
| logSw: | -1.9008 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 110.753 |
| InChI Key: | JGTCMCVJBJKSBL-UHFFFAOYSA-N |