5-[1-(2,5-difluorobenzoyl)piperidin-4-yl]-4-[(4-methoxyphenyl)methyl]-2,4-dihydro-3H-1,2,4-triazol-3-one
Chemical Structure Depiction of
5-[1-(2,5-difluorobenzoyl)piperidin-4-yl]-4-[(4-methoxyphenyl)methyl]-2,4-dihydro-3H-1,2,4-triazol-3-one
5-[1-(2,5-difluorobenzoyl)piperidin-4-yl]-4-[(4-methoxyphenyl)methyl]-2,4-dihydro-3H-1,2,4-triazol-3-one
Compound characteristics
Compound ID: | S383-1838 |
Compound Name: | 5-[1-(2,5-difluorobenzoyl)piperidin-4-yl]-4-[(4-methoxyphenyl)methyl]-2,4-dihydro-3H-1,2,4-triazol-3-one |
Molecular Weight: | 428.44 |
Molecular Formula: | C22 H22 F2 N4 O3 |
Smiles: | COc1ccc(CN2C(C3CCN(CC3)C(c3cc(ccc3F)F)=O)=NNC2=O)cc1 |
Stereo: | ACHIRAL |
logP: | 3.7407 |
logD: | 3.7401 |
logSw: | -3.9305 |
Hydrogen bond acceptors count: | 6 |
Hydrogen bond donors count: | 1 |
Polar surface area: | 64.939 |
InChI Key: | CPZGCUZGZOMBDP-UHFFFAOYSA-N |