4-cyclopentyl-2-methyl-5-[1-(4-phenylbutanoyl)piperidin-4-yl]-2,4-dihydro-3H-1,2,4-triazol-3-one
Chemical Structure Depiction of
4-cyclopentyl-2-methyl-5-[1-(4-phenylbutanoyl)piperidin-4-yl]-2,4-dihydro-3H-1,2,4-triazol-3-one
4-cyclopentyl-2-methyl-5-[1-(4-phenylbutanoyl)piperidin-4-yl]-2,4-dihydro-3H-1,2,4-triazol-3-one
Compound characteristics
| Compound ID: | S559-0394 |
| Compound Name: | 4-cyclopentyl-2-methyl-5-[1-(4-phenylbutanoyl)piperidin-4-yl]-2,4-dihydro-3H-1,2,4-triazol-3-one |
| Molecular Weight: | 396.53 |
| Molecular Formula: | C23 H32 N4 O2 |
| Smiles: | CN1C(N(C2CCCC2)C(C2CCN(CC2)C(CCCc2ccccc2)=O)=N1)=O |
| Stereo: | ACHIRAL |
| logP: | 3.898 |
| logD: | 3.8906 |
| logSw: | -3.9239 |
| Hydrogen bond acceptors count: | 5 |
| Polar surface area: | 47.805 |
| InChI Key: | CNWOTSYUOWDQMX-UHFFFAOYSA-N |