4-benzyl-5-{1-[(3-methoxyphenyl)acetyl]piperidin-4-yl}-2-methyl-2,4-dihydro-3H-1,2,4-triazol-3-one
Chemical Structure Depiction of
4-benzyl-5-{1-[(3-methoxyphenyl)acetyl]piperidin-4-yl}-2-methyl-2,4-dihydro-3H-1,2,4-triazol-3-one
4-benzyl-5-{1-[(3-methoxyphenyl)acetyl]piperidin-4-yl}-2-methyl-2,4-dihydro-3H-1,2,4-triazol-3-one
Compound characteristics
| Compound ID: | S559-0852 |
| Compound Name: | 4-benzyl-5-{1-[(3-methoxyphenyl)acetyl]piperidin-4-yl}-2-methyl-2,4-dihydro-3H-1,2,4-triazol-3-one |
| Molecular Weight: | 420.51 |
| Molecular Formula: | C24 H28 N4 O3 |
| Smiles: | CN1C(N(Cc2ccccc2)C(C2CCN(CC2)C(Cc2cccc(c2)OC)=O)=N1)=O |
| Stereo: | ACHIRAL |
| logP: | 3.6898 |
| logD: | 3.6897 |
| logSw: | -4.011 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 55.761 |
| InChI Key: | BBKBCLPAGQEBHT-UHFFFAOYSA-N |