N-[(2H-1,3-benzodioxol-5-yl)methyl]-1-[(4-chlorophenyl)methyl]-5-(1H-pyrrol-1-yl)-1H-1,2,3-triazole-4-carboxamide
Chemical Structure Depiction of
N-[(2H-1,3-benzodioxol-5-yl)methyl]-1-[(4-chlorophenyl)methyl]-5-(1H-pyrrol-1-yl)-1H-1,2,3-triazole-4-carboxamide
N-[(2H-1,3-benzodioxol-5-yl)methyl]-1-[(4-chlorophenyl)methyl]-5-(1H-pyrrol-1-yl)-1H-1,2,3-triazole-4-carboxamide
Compound characteristics
| Compound ID: | L116-4578 |
| Compound Name: | N-[(2H-1,3-benzodioxol-5-yl)methyl]-1-[(4-chlorophenyl)methyl]-5-(1H-pyrrol-1-yl)-1H-1,2,3-triazole-4-carboxamide |
| Molecular Weight: | 435.87 |
| Molecular Formula: | C22 H18 Cl N5 O3 |
| Smiles: | C(c1ccc2c(c1)OCO2)NC(c1c(n2cccc2)n(Cc2ccc(cc2)[Cl])nn1)=O |
| Stereo: | ACHIRAL |
| logP: | 3.8687 |
| logD: | 3.8687 |
| logSw: | -4.5249 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 71.266 |
| InChI Key: | DYMBNVYNOXESLT-UHFFFAOYSA-N |