N-(2H-1,3-benzodioxol-5-yl)-2-{3-[(4-fluorophenyl)methyl]-1H-1,2,4-triazol-5-yl}acetamide
Chemical Structure Depiction of
N-(2H-1,3-benzodioxol-5-yl)-2-{3-[(4-fluorophenyl)methyl]-1H-1,2,4-triazol-5-yl}acetamide
N-(2H-1,3-benzodioxol-5-yl)-2-{3-[(4-fluorophenyl)methyl]-1H-1,2,4-triazol-5-yl}acetamide
Compound characteristics
| Compound ID: | P496-2028 |
| Compound Name: | N-(2H-1,3-benzodioxol-5-yl)-2-{3-[(4-fluorophenyl)methyl]-1H-1,2,4-triazol-5-yl}acetamide |
| Molecular Weight: | 354.34 |
| Molecular Formula: | C18 H15 F N4 O3 |
| Smiles: | C(c1ccc(cc1)F)c1nc(CC(Nc2ccc3c(c2)OCO3)=O)[nH]n1 |
| Stereo: | ACHIRAL |
| logP: | 2.7647 |
| logD: | 2.7621 |
| logSw: | -3.2447 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 75.998 |
| InChI Key: | JTGCGZWXDPEYJN-UHFFFAOYSA-N |