5-[1-(3,5-dimethoxybenzoyl)piperidin-4-yl]-4-[(4-fluorophenyl)methyl]-2,4-dihydro-3H-1,2,4-triazol-3-one
Chemical Structure Depiction of
5-[1-(3,5-dimethoxybenzoyl)piperidin-4-yl]-4-[(4-fluorophenyl)methyl]-2,4-dihydro-3H-1,2,4-triazol-3-one
5-[1-(3,5-dimethoxybenzoyl)piperidin-4-yl]-4-[(4-fluorophenyl)methyl]-2,4-dihydro-3H-1,2,4-triazol-3-one
Compound characteristics
Compound ID: | S383-0910 |
Compound Name: | 5-[1-(3,5-dimethoxybenzoyl)piperidin-4-yl]-4-[(4-fluorophenyl)methyl]-2,4-dihydro-3H-1,2,4-triazol-3-one |
Molecular Weight: | 440.47 |
Molecular Formula: | C23 H25 F N4 O4 |
Smiles: | COc1cc(cc(c1)OC)C(N1CCC(CC1)C1=NNC(N1Cc1ccc(cc1)F)=O)=O |
Stereo: | ACHIRAL |
logP: | 3.5123 |
logD: | 3.5117 |
logSw: | -3.6352 |
Hydrogen bond acceptors count: | 7 |
Hydrogen bond donors count: | 1 |
Polar surface area: | 72.483 |
InChI Key: | KAHYZXGLNWKURN-UHFFFAOYSA-N |