N-[(2H-1,3-benzodioxol-5-yl)methyl]-1-(4-chlorophenyl)-5-(pyridin-3-yl)-1H-1,2,3-triazole-4-carboxamide
Chemical Structure Depiction of
N-[(2H-1,3-benzodioxol-5-yl)methyl]-1-(4-chlorophenyl)-5-(pyridin-3-yl)-1H-1,2,3-triazole-4-carboxamide
N-[(2H-1,3-benzodioxol-5-yl)methyl]-1-(4-chlorophenyl)-5-(pyridin-3-yl)-1H-1,2,3-triazole-4-carboxamide
Compound characteristics
| Compound ID: | L806-0090 |
| Compound Name: | N-[(2H-1,3-benzodioxol-5-yl)methyl]-1-(4-chlorophenyl)-5-(pyridin-3-yl)-1H-1,2,3-triazole-4-carboxamide |
| Molecular Weight: | 433.85 |
| Molecular Formula: | C22 H16 Cl N5 O3 |
| Smiles: | C(c1ccc2c(c1)OCO2)NC(c1c(c2cccnc2)n(c2ccc(cc2)[Cl])nn1)=O |
| Stereo: | ACHIRAL |
| logP: | 3.2006 |
| logD: | 3.2006 |
| logSw: | -3.6617 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 76.886 |
| InChI Key: | JMWZKSHIRGAQNR-UHFFFAOYSA-N |