N-[(2H-1,3-benzodioxol-5-yl)methyl]-2-(4-chlorophenyl)-5-(hydroxymethyl)-2H-1,2,3-triazole-4-carboxamide
Chemical Structure Depiction of
N-[(2H-1,3-benzodioxol-5-yl)methyl]-2-(4-chlorophenyl)-5-(hydroxymethyl)-2H-1,2,3-triazole-4-carboxamide
N-[(2H-1,3-benzodioxol-5-yl)methyl]-2-(4-chlorophenyl)-5-(hydroxymethyl)-2H-1,2,3-triazole-4-carboxamide
Compound characteristics
| Compound ID: | D217-0316 |
| Compound Name: | N-[(2H-1,3-benzodioxol-5-yl)methyl]-2-(4-chlorophenyl)-5-(hydroxymethyl)-2H-1,2,3-triazole-4-carboxamide |
| Molecular Weight: | 386.79 |
| Molecular Formula: | C18 H15 Cl N4 O4 |
| Smiles: | C(c1ccc2c(c1)OCO2)NC(c1c(CO)nn(c2ccc(cc2)[Cl])n1)=O |
| Stereo: | ACHIRAL |
| logP: | 2.1581 |
| logD: | 2.1581 |
| logSw: | -2.9921 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 85.251 |
| InChI Key: | BVVQPYCANHPQEG-UHFFFAOYSA-N |