N-[(2H-1,3-benzodioxol-5-yl)methyl]-5-(hydroxymethyl)-2-(4-methylphenyl)-2H-1,2,3-triazole-4-carboxamide
Chemical Structure Depiction of
N-[(2H-1,3-benzodioxol-5-yl)methyl]-5-(hydroxymethyl)-2-(4-methylphenyl)-2H-1,2,3-triazole-4-carboxamide
N-[(2H-1,3-benzodioxol-5-yl)methyl]-5-(hydroxymethyl)-2-(4-methylphenyl)-2H-1,2,3-triazole-4-carboxamide
Compound characteristics
| Compound ID: | D217-0166 |
| Compound Name: | N-[(2H-1,3-benzodioxol-5-yl)methyl]-5-(hydroxymethyl)-2-(4-methylphenyl)-2H-1,2,3-triazole-4-carboxamide |
| Molecular Weight: | 366.37 |
| Molecular Formula: | C19 H18 N4 O4 |
| Smiles: | Cc1ccc(cc1)n1nc(CO)c(C(NCc2ccc3c(c2)OCO3)=O)n1 |
| Stereo: | ACHIRAL |
| logP: | 1.9868 |
| logD: | 1.9868 |
| logSw: | -2.5658 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 85.251 |
| InChI Key: | KUEKTSCNCDMOKM-UHFFFAOYSA-N |