5-[1-(3,5-difluorobenzoyl)piperidin-4-yl]-2-methyl-4-(2-phenylethyl)-2,4-dihydro-3H-1,2,4-triazol-3-one
Chemical Structure Depiction of
5-[1-(3,5-difluorobenzoyl)piperidin-4-yl]-2-methyl-4-(2-phenylethyl)-2,4-dihydro-3H-1,2,4-triazol-3-one
5-[1-(3,5-difluorobenzoyl)piperidin-4-yl]-2-methyl-4-(2-phenylethyl)-2,4-dihydro-3H-1,2,4-triazol-3-one
Compound characteristics
| Compound ID: | S559-1091 |
| Compound Name: | 5-[1-(3,5-difluorobenzoyl)piperidin-4-yl]-2-methyl-4-(2-phenylethyl)-2,4-dihydro-3H-1,2,4-triazol-3-one |
| Molecular Weight: | 426.47 |
| Molecular Formula: | C23 H24 F2 N4 O2 |
| Smiles: | CN1C(N(CCc2ccccc2)C(C2CCN(CC2)C(c2cc(cc(c2)F)F)=O)=N1)=O |
| Stereo: | ACHIRAL |
| logP: | 3.8789 |
| logD: | 3.8788 |
| logSw: | -3.8808 |
| Hydrogen bond acceptors count: | 5 |
| Polar surface area: | 48.723 |
| InChI Key: | OPCIMALIHHCGSU-UHFFFAOYSA-N |