5-cyclopropyl-4-{1-[(2,4-difluorophenyl)methyl]piperidin-4-yl}-2-methyl-2,4-dihydro-3H-1,2,4-triazol-3-one
Chemical Structure Depiction of
5-cyclopropyl-4-{1-[(2,4-difluorophenyl)methyl]piperidin-4-yl}-2-methyl-2,4-dihydro-3H-1,2,4-triazol-3-one
5-cyclopropyl-4-{1-[(2,4-difluorophenyl)methyl]piperidin-4-yl}-2-methyl-2,4-dihydro-3H-1,2,4-triazol-3-one
Compound characteristics
| Compound ID: | S794-0512 |
| Compound Name: | 5-cyclopropyl-4-{1-[(2,4-difluorophenyl)methyl]piperidin-4-yl}-2-methyl-2,4-dihydro-3H-1,2,4-triazol-3-one |
| Molecular Weight: | 348.39 |
| Molecular Formula: | C18 H22 F2 N4 O |
| Smiles: | CN1C(N(C2CCN(CC2)Cc2ccc(cc2F)F)C(C2CC2)=N1)=O |
| Stereo: | ACHIRAL |
| logP: | 3.3586 |
| logD: | 3.0045 |
| logSw: | -3.3452 |
| Hydrogen bond acceptors count: | 4 |
| Polar surface area: | 35.382 |
| InChI Key: | HYHHQMBGTAVNSD-UHFFFAOYSA-N |