methyl 3-[(5-methyl-1-phenyl-1H-1,2,3-triazole-4-carbonyl)amino]benzoate
Chemical Structure Depiction of
methyl 3-[(5-methyl-1-phenyl-1H-1,2,3-triazole-4-carbonyl)amino]benzoate
methyl 3-[(5-methyl-1-phenyl-1H-1,2,3-triazole-4-carbonyl)amino]benzoate
Compound characteristics
| Compound ID: | IB03-8467 |
| Compound Name: | methyl 3-[(5-methyl-1-phenyl-1H-1,2,3-triazole-4-carbonyl)amino]benzoate |
| Molecular Weight: | 336.35 |
| Molecular Formula: | C18 H16 N4 O3 |
| Smiles: | Cc1c(C(Nc2cccc(c2)C(=O)OC)=O)nnn1c1ccccc1 |
| Stereo: | ACHIRAL |
| logP: | 3.02 |
| logD: | 3.02 |
| logSw: | -3.84 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 110.93 |
| InChI Key: | RNGBVJJTPDFPMK-UHFFFAOYSA-N |