4-benzyl-5-[1-(3-cyclohexylpropanoyl)piperidin-4-yl]-2-methyl-2,4-dihydro-3H-1,2,4-triazol-3-one
Chemical Structure Depiction of
4-benzyl-5-[1-(3-cyclohexylpropanoyl)piperidin-4-yl]-2-methyl-2,4-dihydro-3H-1,2,4-triazol-3-one
4-benzyl-5-[1-(3-cyclohexylpropanoyl)piperidin-4-yl]-2-methyl-2,4-dihydro-3H-1,2,4-triazol-3-one
Compound characteristics
| Compound ID: | S559-0841 |
| Compound Name: | 4-benzyl-5-[1-(3-cyclohexylpropanoyl)piperidin-4-yl]-2-methyl-2,4-dihydro-3H-1,2,4-triazol-3-one |
| Molecular Weight: | 410.56 |
| Molecular Formula: | C24 H34 N4 O2 |
| Smiles: | CN1C(N(Cc2ccccc2)C(C2CCN(CC2)C(CCC2CCCCC2)=O)=N1)=O |
| Stereo: | ACHIRAL |
| logP: | 4.5704 |
| logD: | 4.5703 |
| logSw: | -4.3389 |
| Hydrogen bond acceptors count: | 5 |
| Polar surface area: | 48.41 |
| InChI Key: | JQVBHOCXXLNLEE-UHFFFAOYSA-N |