2-[(2H-[3,4'-bi-1,2,4-triazole]-5-carbonyl)amino]benzoic acid
Chemical Structure Depiction of
2-[(2H-[3,4'-bi-1,2,4-triazole]-5-carbonyl)amino]benzoic acid
2-[(2H-[3,4'-bi-1,2,4-triazole]-5-carbonyl)amino]benzoic acid
Compound characteristics
| Compound ID: | 8018-2394 |
| Compound Name: | 2-[(2H-[3,4'-bi-1,2,4-triazole]-5-carbonyl)amino]benzoic acid |
| Molecular Weight: | 299.25 |
| Molecular Formula: | C12 H9 N7 O3 |
| Smiles: | c1ccc(c(c1)C(O)=O)NC(c1nc([nH]n1)n1cnnc1)=O |
| Stereo: | ACHIRAL |
| logP: | 0.7539 |
| logD: | -4.0723 |
| logSw: | -2.2569 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 110.055 |
| InChI Key: | NQPQDFFBKMSEHQ-UHFFFAOYSA-N |