4-cyclopentyl-2-methyl-5-{1-[4-(trifluoromethyl)benzoyl]piperidin-4-yl}-2,4-dihydro-3H-1,2,4-triazol-3-one
Chemical Structure Depiction of
4-cyclopentyl-2-methyl-5-{1-[4-(trifluoromethyl)benzoyl]piperidin-4-yl}-2,4-dihydro-3H-1,2,4-triazol-3-one
4-cyclopentyl-2-methyl-5-{1-[4-(trifluoromethyl)benzoyl]piperidin-4-yl}-2,4-dihydro-3H-1,2,4-triazol-3-one
Compound characteristics
| Compound ID: | S559-0366 |
| Compound Name: | 4-cyclopentyl-2-methyl-5-{1-[4-(trifluoromethyl)benzoyl]piperidin-4-yl}-2,4-dihydro-3H-1,2,4-triazol-3-one |
| Molecular Weight: | 422.45 |
| Molecular Formula: | C21 H25 F3 N4 O2 |
| Smiles: | CN1C(N(C2CCCC2)C(C2CCN(CC2)C(c2ccc(cc2)C(F)(F)F)=O)=N1)=O |
| Stereo: | ACHIRAL |
| logP: | 3.6017 |
| logD: | 3.5943 |
| logSw: | -3.647 |
| Hydrogen bond acceptors count: | 5 |
| Polar surface area: | 48.332 |
| InChI Key: | COHVUEWULRRXST-UHFFFAOYSA-N |