4-{1-[(2,4-difluorophenyl)methyl]piperidin-4-yl}-2,5-dimethyl-2,4-dihydro-3H-1,2,4-triazol-3-one
Chemical Structure Depiction of
4-{1-[(2,4-difluorophenyl)methyl]piperidin-4-yl}-2,5-dimethyl-2,4-dihydro-3H-1,2,4-triazol-3-one
4-{1-[(2,4-difluorophenyl)methyl]piperidin-4-yl}-2,5-dimethyl-2,4-dihydro-3H-1,2,4-triazol-3-one
Compound characteristics
| Compound ID: | S794-0186 |
| Compound Name: | 4-{1-[(2,4-difluorophenyl)methyl]piperidin-4-yl}-2,5-dimethyl-2,4-dihydro-3H-1,2,4-triazol-3-one |
| Molecular Weight: | 322.36 |
| Molecular Formula: | C16 H20 F2 N4 O |
| Smiles: | CC1=NN(C)C(N1C1CCN(CC1)Cc1ccc(cc1F)F)=O |
| Stereo: | ACHIRAL |
| logP: | 2.6064 |
| logD: | 2.2523 |
| logSw: | -2.5787 |
| Hydrogen bond acceptors count: | 4 |
| Polar surface area: | 33.894 |
| InChI Key: | VJFNZTZCZAEVIG-UHFFFAOYSA-N |