N-{1-[(2-methylphenyl)methyl]-1H-1,2,4-triazol-3-yl}-2H-1,3-benzodioxole-5-carboxamide
Chemical Structure Depiction of
N-{1-[(2-methylphenyl)methyl]-1H-1,2,4-triazol-3-yl}-2H-1,3-benzodioxole-5-carboxamide
N-{1-[(2-methylphenyl)methyl]-1H-1,2,4-triazol-3-yl}-2H-1,3-benzodioxole-5-carboxamide
Compound characteristics
| Compound ID: | Y502-4223 |
| Compound Name: | N-{1-[(2-methylphenyl)methyl]-1H-1,2,4-triazol-3-yl}-2H-1,3-benzodioxole-5-carboxamide |
| Molecular Weight: | 336.35 |
| Molecular Formula: | C18 H16 N4 O3 |
| Smiles: | Cc1ccccc1Cn1cnc(NC(c2ccc3c(c2)OCO3)=O)n1 |
| Stereo: | ACHIRAL |
| logP: | 3.4131 |
| logD: | 3.396 |
| logSw: | -3.5725 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 65.667 |
| InChI Key: | YYEFWQZYPAIKAD-UHFFFAOYSA-N |