4-[(2H-[3,4'-bi-1,2,4-triazole]-5-carbonyl)amino]benzoic acid
Chemical Structure Depiction of
4-[(2H-[3,4'-bi-1,2,4-triazole]-5-carbonyl)amino]benzoic acid
4-[(2H-[3,4'-bi-1,2,4-triazole]-5-carbonyl)amino]benzoic acid
Compound characteristics
| Compound ID: | 8018-2393 |
| Compound Name: | 4-[(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(ccc1C(O)=O)NC(c1nc([nH]n1)n1cnnc1)=O |
| Stereo: | ACHIRAL |
| logP: | 0.4172 |
| logD: | -1.978 |
| logSw: | -1.6416 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 110.753 |
| InChI Key: | FRXSGROWPWGTFD-UHFFFAOYSA-N |