5-anilino-N-[(2H-1,3-benzodioxol-5-yl)methyl]-1H-1,2,3-triazole-4-carboxamide
Chemical Structure Depiction of
5-anilino-N-[(2H-1,3-benzodioxol-5-yl)methyl]-1H-1,2,3-triazole-4-carboxamide
5-anilino-N-[(2H-1,3-benzodioxol-5-yl)methyl]-1H-1,2,3-triazole-4-carboxamide
Compound characteristics
| Compound ID: | F414-0047 |
| Compound Name: | 5-anilino-N-[(2H-1,3-benzodioxol-5-yl)methyl]-1H-1,2,3-triazole-4-carboxamide |
| Molecular Weight: | 337.34 |
| Molecular Formula: | C17 H15 N5 O3 |
| Smiles: | C(c1ccc2c(c1)OCO2)NC(c1c(Nc2ccccc2)[nH]nn1)=O |
| Stereo: | ACHIRAL |
| logP: | 2.0162 |
| logD: | 1.9143 |
| logSw: | -2.7634 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 87.993 |
| InChI Key: | XYSSAZNGGPWXFM-UHFFFAOYSA-N |