5-[1-(3-cyclohexylpropanoyl)piperidin-4-yl]-2-methyl-4-phenyl-2,4-dihydro-3H-1,2,4-triazol-3-one
Chemical Structure Depiction of
5-[1-(3-cyclohexylpropanoyl)piperidin-4-yl]-2-methyl-4-phenyl-2,4-dihydro-3H-1,2,4-triazol-3-one
5-[1-(3-cyclohexylpropanoyl)piperidin-4-yl]-2-methyl-4-phenyl-2,4-dihydro-3H-1,2,4-triazol-3-one
Compound characteristics
| Compound ID: | S559-0596 |
| Compound Name: | 5-[1-(3-cyclohexylpropanoyl)piperidin-4-yl]-2-methyl-4-phenyl-2,4-dihydro-3H-1,2,4-triazol-3-one |
| Molecular Weight: | 396.53 |
| Molecular Formula: | C23 H32 N4 O2 |
| Smiles: | CN1C(N(C(C2CCN(CC2)C(CCC2CCCCC2)=O)=N1)c1ccccc1)=O |
| Stereo: | ACHIRAL |
| logP: | 3.9731 |
| logD: | 3.9729 |
| logSw: | -3.9977 |
| Hydrogen bond acceptors count: | 5 |
| Polar surface area: | 47.798 |
| InChI Key: | ADHUZUNVLORJIL-UHFFFAOYSA-N |