5-(hydroxymethyl)-N-[(4-methylphenyl)methyl]-2-phenyl-2H-1,2,3-triazole-4-carboxamide
Chemical Structure Depiction of
5-(hydroxymethyl)-N-[(4-methylphenyl)methyl]-2-phenyl-2H-1,2,3-triazole-4-carboxamide
5-(hydroxymethyl)-N-[(4-methylphenyl)methyl]-2-phenyl-2H-1,2,3-triazole-4-carboxamide
Compound characteristics
| Compound ID: | D217-0013 |
| Compound Name: | 5-(hydroxymethyl)-N-[(4-methylphenyl)methyl]-2-phenyl-2H-1,2,3-triazole-4-carboxamide |
| Molecular Weight: | 322.36 |
| Molecular Formula: | C18 H18 N4 O2 |
| Smiles: | Cc1ccc(CNC(c2c(CO)nn(c3ccccc3)n2)=O)cc1 |
| Stereo: | ACHIRAL |
| logP: | 1.9521 |
| logD: | 1.9521 |
| logSw: | -2.2117 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 68.136 |
| InChI Key: | DVHJCDHEGSTQHP-UHFFFAOYSA-N |