N-{1-[(3,4-dichlorophenyl)methyl]-1H-1,2,4-triazol-3-yl}-2H-1,3-benzodioxole-5-carboxamide
Chemical Structure Depiction of
N-{1-[(3,4-dichlorophenyl)methyl]-1H-1,2,4-triazol-3-yl}-2H-1,3-benzodioxole-5-carboxamide
N-{1-[(3,4-dichlorophenyl)methyl]-1H-1,2,4-triazol-3-yl}-2H-1,3-benzodioxole-5-carboxamide
Compound characteristics
| Compound ID: | Y502-3225 |
| Compound Name: | N-{1-[(3,4-dichlorophenyl)methyl]-1H-1,2,4-triazol-3-yl}-2H-1,3-benzodioxole-5-carboxamide |
| Molecular Weight: | 391.21 |
| Molecular Formula: | C17 H12 Cl2 N4 O3 |
| Smiles: | C(c1ccc(c(c1)[Cl])[Cl])n1cnc(NC(c2ccc3c(c2)OCO3)=O)n1 |
| Stereo: | ACHIRAL |
| logP: | 3.9428 |
| logD: | 3.9257 |
| logSw: | -4.4241 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 65.667 |
| InChI Key: | PDQJZAYIVPFTCV-UHFFFAOYSA-N |