(2-cyanophenyl)methyl 5-amino-2-phenyl-2H-1,2,3-triazole-4-carboxylate
Chemical Structure Depiction of
(2-cyanophenyl)methyl 5-amino-2-phenyl-2H-1,2,3-triazole-4-carboxylate
(2-cyanophenyl)methyl 5-amino-2-phenyl-2H-1,2,3-triazole-4-carboxylate
Compound characteristics
| Compound ID: | 8017-4442 |
| Compound Name: | (2-cyanophenyl)methyl 5-amino-2-phenyl-2H-1,2,3-triazole-4-carboxylate |
| Molecular Weight: | 319.32 |
| Molecular Formula: | C17 H13 N5 O2 |
| Smiles: | C(c1ccccc1C#N)OC(c1c(N)nn(c2ccccc2)n1)=O |
| Stereo: | ACHIRAL |
| logP: | 1.7432 |
| logD: | 1.7432 |
| logSw: | -2.4411 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 83.952 |
| InChI Key: | WJXQVKUGPDTMRF-UHFFFAOYSA-N |