N-[(2H-1,3-benzodioxol-5-yl)methyl]-5-[4-(benzyloxy)anilino]-1H-1,2,3-triazole-4-carboxamide
Chemical Structure Depiction of
N-[(2H-1,3-benzodioxol-5-yl)methyl]-5-[4-(benzyloxy)anilino]-1H-1,2,3-triazole-4-carboxamide
N-[(2H-1,3-benzodioxol-5-yl)methyl]-5-[4-(benzyloxy)anilino]-1H-1,2,3-triazole-4-carboxamide
Compound characteristics
| Compound ID: | F414-0937 |
| Compound Name: | N-[(2H-1,3-benzodioxol-5-yl)methyl]-5-[4-(benzyloxy)anilino]-1H-1,2,3-triazole-4-carboxamide |
| Molecular Weight: | 443.46 |
| Molecular Formula: | C24 H21 N5 O4 |
| Smiles: | C(c1ccc2c(c1)OCO2)NC(c1c(Nc2ccc(cc2)OCc2ccccc2)[nH]nn1)=O |
| Stereo: | ACHIRAL |
| logP: | 3.6223 |
| logD: | 3.5204 |
| logSw: | -3.885 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 95.22 |
| InChI Key: | ITTHZWCAYFFLLY-UHFFFAOYSA-N |