5-{[(2H-1,3-benzodioxol-5-yl)methyl]amino}-N-(4-fluorophenyl)-2H-1,2,3-triazole-4-carboxamide
Chemical Structure Depiction of
5-{[(2H-1,3-benzodioxol-5-yl)methyl]amino}-N-(4-fluorophenyl)-2H-1,2,3-triazole-4-carboxamide
5-{[(2H-1,3-benzodioxol-5-yl)methyl]amino}-N-(4-fluorophenyl)-2H-1,2,3-triazole-4-carboxamide
Compound characteristics
| Compound ID: | H024-0096 |
| Compound Name: | 5-{[(2H-1,3-benzodioxol-5-yl)methyl]amino}-N-(4-fluorophenyl)-2H-1,2,3-triazole-4-carboxamide |
| Molecular Weight: | 355.33 |
| Molecular Formula: | C17 H14 F N5 O3 |
| Smiles: | C(c1ccc2c(c1)OCO2)Nc1c(C(Nc2ccc(cc2)F)=O)n[nH]n1 |
| Stereo: | ACHIRAL |
| logP: | 2.3262 |
| logD: | 2.1894 |
| logSw: | -3.0432 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 87.993 |
| InChI Key: | GGJVWJHXIOLCRD-UHFFFAOYSA-N |