4-[(4-methylphenyl)methyl]-5-{1-[4-(trifluoromethyl)benzoyl]piperidin-4-yl}-2,4-dihydro-3H-1,2,4-triazol-3-one
Chemical Structure Depiction of
4-[(4-methylphenyl)methyl]-5-{1-[4-(trifluoromethyl)benzoyl]piperidin-4-yl}-2,4-dihydro-3H-1,2,4-triazol-3-one
4-[(4-methylphenyl)methyl]-5-{1-[4-(trifluoromethyl)benzoyl]piperidin-4-yl}-2,4-dihydro-3H-1,2,4-triazol-3-one
Compound characteristics
Compound ID: | S383-0193 |
Compound Name: | 4-[(4-methylphenyl)methyl]-5-{1-[4-(trifluoromethyl)benzoyl]piperidin-4-yl}-2,4-dihydro-3H-1,2,4-triazol-3-one |
Molecular Weight: | 444.46 |
Molecular Formula: | C23 H23 F3 N4 O2 |
Smiles: | Cc1ccc(CN2C(C3CCN(CC3)C(c3ccc(cc3)C(F)(F)F)=O)=NNC2=O)cc1 |
Stereo: | ACHIRAL |
logP: | 4.5797 |
logD: | 4.5791 |
logSw: | -4.2181 |
Hydrogen bond acceptors count: | 5 |
Hydrogen bond donors count: | 1 |
Polar surface area: | 57.396 |
InChI Key: | WPDLSGGKKQUMHQ-UHFFFAOYSA-N |