N-[(2H-1,3-benzodioxol-5-yl)methyl]-1-(4-methylphenyl)-1H-1,2,3-triazole-4-carboxamide
Chemical Structure Depiction of
N-[(2H-1,3-benzodioxol-5-yl)methyl]-1-(4-methylphenyl)-1H-1,2,3-triazole-4-carboxamide
N-[(2H-1,3-benzodioxol-5-yl)methyl]-1-(4-methylphenyl)-1H-1,2,3-triazole-4-carboxamide
Compound characteristics
| Compound ID: | L524-0082 |
| Compound Name: | N-[(2H-1,3-benzodioxol-5-yl)methyl]-1-(4-methylphenyl)-1H-1,2,3-triazole-4-carboxamide |
| Molecular Weight: | 336.35 |
| Molecular Formula: | C18 H16 N4 O3 |
| Smiles: | Cc1ccc(cc1)n1cc(C(NCc2ccc3c(c2)OCO3)=O)nn1 |
| Stereo: | ACHIRAL |
| logP: | 2.9509 |
| logD: | 2.9509 |
| logSw: | -3.1913 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 68.132 |
| InChI Key: | QDAHUWYFUJQSGA-UHFFFAOYSA-N |