5-{1-[(3-methylphenoxy)acetyl]piperidin-4-yl}-4-[(4-methylphenyl)methyl]-2,4-dihydro-3H-1,2,4-triazol-3-one
Chemical Structure Depiction of
5-{1-[(3-methylphenoxy)acetyl]piperidin-4-yl}-4-[(4-methylphenyl)methyl]-2,4-dihydro-3H-1,2,4-triazol-3-one
5-{1-[(3-methylphenoxy)acetyl]piperidin-4-yl}-4-[(4-methylphenyl)methyl]-2,4-dihydro-3H-1,2,4-triazol-3-one
Compound characteristics
| Compound ID: | S383-0050 |
| Compound Name: | 5-{1-[(3-methylphenoxy)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(COc3cccc(C)c3)=O)=NNC2=O)cc1 |
| Stereo: | ACHIRAL |
| logP: | 3.9794 |
| logD: | 3.9788 |
| logSw: | -3.9072 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 64.367 |
| InChI Key: | UMVGYBTYKLMATJ-UHFFFAOYSA-N |