methyl 2-[(1-phenyl-1H-1,2,4-triazole-3-carbonyl)amino]benzoate
Chemical Structure Depiction of
methyl 2-[(1-phenyl-1H-1,2,4-triazole-3-carbonyl)amino]benzoate
methyl 2-[(1-phenyl-1H-1,2,4-triazole-3-carbonyl)amino]benzoate
Compound characteristics
| Compound ID: | C301-4153 |
| Compound Name: | methyl 2-[(1-phenyl-1H-1,2,4-triazole-3-carbonyl)amino]benzoate |
| Molecular Weight: | 322.32 |
| Molecular Formula: | C17 H14 N4 O3 |
| Smiles: | COC(c1ccccc1NC(c1ncn(c2ccccc2)n1)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.6199 |
| logD: | 2.5666 |
| logSw: | -3.4882 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 67.745 |
| InChI Key: | WLIRRURVBILOER-UHFFFAOYSA-N |