2-methyl-5-[1-(4-phenylbutanoyl)piperidin-4-yl]-4-(2-phenylethyl)-2,4-dihydro-3H-1,2,4-triazol-3-one
Chemical Structure Depiction of
2-methyl-5-[1-(4-phenylbutanoyl)piperidin-4-yl]-4-(2-phenylethyl)-2,4-dihydro-3H-1,2,4-triazol-3-one
2-methyl-5-[1-(4-phenylbutanoyl)piperidin-4-yl]-4-(2-phenylethyl)-2,4-dihydro-3H-1,2,4-triazol-3-one
Compound characteristics
| Compound ID: | S559-1105 |
| Compound Name: | 2-methyl-5-[1-(4-phenylbutanoyl)piperidin-4-yl]-4-(2-phenylethyl)-2,4-dihydro-3H-1,2,4-triazol-3-one |
| Molecular Weight: | 432.57 |
| Molecular Formula: | C26 H32 N4 O2 |
| Smiles: | CN1C(N(CCc2ccccc2)C(C2CCN(CC2)C(CCCc2ccccc2)=O)=N1)=O |
| Stereo: | ACHIRAL |
| logP: | 4.5777 |
| logD: | 4.5776 |
| logSw: | -4.3401 |
| Hydrogen bond acceptors count: | 5 |
| Polar surface area: | 48.196 |
| InChI Key: | JMRUVWOPMDEFQT-UHFFFAOYSA-N |