(2-methylphenyl)methyl 5-amino-2-phenyl-2H-1,2,3-triazole-4-carboxylate
Chemical Structure Depiction of
(2-methylphenyl)methyl 5-amino-2-phenyl-2H-1,2,3-triazole-4-carboxylate
(2-methylphenyl)methyl 5-amino-2-phenyl-2H-1,2,3-triazole-4-carboxylate
Compound characteristics
| Compound ID: | 8016-0658 |
| Compound Name: | (2-methylphenyl)methyl 5-amino-2-phenyl-2H-1,2,3-triazole-4-carboxylate |
| Molecular Weight: | 308.34 |
| Molecular Formula: | C17 H16 N4 O2 |
| Smiles: | Cc1ccccc1COC(c1c(N)nn(c2ccccc2)n1)=O |
| Stereo: | ACHIRAL |
| logP: | 2.7336 |
| logD: | 2.7336 |
| logSw: | -2.7356 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 66.896 |
| InChI Key: | ANPGRBQAOVZIIU-UHFFFAOYSA-N |