5-{1-[(2-methoxyphenyl)acetyl]piperidin-4-yl}-4-[(4-methylphenyl)methyl]-2,4-dihydro-3H-1,2,4-triazol-3-one
Chemical Structure Depiction of
5-{1-[(2-methoxyphenyl)acetyl]piperidin-4-yl}-4-[(4-methylphenyl)methyl]-2,4-dihydro-3H-1,2,4-triazol-3-one
5-{1-[(2-methoxyphenyl)acetyl]piperidin-4-yl}-4-[(4-methylphenyl)methyl]-2,4-dihydro-3H-1,2,4-triazol-3-one
Compound characteristics
Compound ID: | S383-0056 |
Compound Name: | 5-{1-[(2-methoxyphenyl)acetyl]piperidin-4-yl}-4-[(4-methylphenyl)methyl]-2,4-dihydro-3H-1,2,4-triazol-3-one |
Molecular Weight: | 420.51 |
Molecular Formula: | C24 H28 N4 O3 |
Smiles: | Cc1ccc(CN2C(C3CCN(CC3)C(Cc3ccccc3OC)=O)=NNC2=O)cc1 |
Stereo: | ACHIRAL |
logP: | 4.1023 |
logD: | 4.1017 |
logSw: | -4.2073 |
Hydrogen bond acceptors count: | 6 |
Hydrogen bond donors count: | 1 |
Polar surface area: | 64.498 |
InChI Key: | KWFUFFYVEJNKHB-UHFFFAOYSA-N |