N-[(2H-1,3-benzodioxol-5-yl)methyl]-1-(3-chlorophenyl)-1H-1,2,3-triazole-4-carboxamide
Chemical Structure Depiction of
N-[(2H-1,3-benzodioxol-5-yl)methyl]-1-(3-chlorophenyl)-1H-1,2,3-triazole-4-carboxamide
N-[(2H-1,3-benzodioxol-5-yl)methyl]-1-(3-chlorophenyl)-1H-1,2,3-triazole-4-carboxamide
Compound characteristics
| Compound ID: | L524-0330 |
| Compound Name: | N-[(2H-1,3-benzodioxol-5-yl)methyl]-1-(3-chlorophenyl)-1H-1,2,3-triazole-4-carboxamide |
| Molecular Weight: | 356.77 |
| Molecular Formula: | C17 H13 Cl N4 O3 |
| Smiles: | C(c1ccc2c(c1)OCO2)NC(c1cn(c2cccc(c2)[Cl])nn1)=O |
| Stereo: | ACHIRAL |
| logP: | 3.0346 |
| logD: | 3.0346 |
| logSw: | -3.4951 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 68.132 |
| InChI Key: | DYVVJMWKEAHVMO-UHFFFAOYSA-N |