(4-cyanophenyl)methyl 5-amino-2-phenyl-2H-1,2,3-triazole-4-carboxylate
Chemical Structure Depiction of
(4-cyanophenyl)methyl 5-amino-2-phenyl-2H-1,2,3-triazole-4-carboxylate
(4-cyanophenyl)methyl 5-amino-2-phenyl-2H-1,2,3-triazole-4-carboxylate
Compound characteristics
| Compound ID: | 8016-0911 |
| Compound Name: | (4-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(c1ccc(C#N)cc1)OC(c1c(N)nn(c2ccccc2)n1)=O |
| Stereo: | ACHIRAL |
| logP: | 1.8076 |
| logD: | 1.8076 |
| logSw: | -1.8871 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 83.952 |
| InChI Key: | QGAYTFSCIPJAQR-UHFFFAOYSA-N |