2-methyl-4-phenyl-5-[1-(4-phenylbutanoyl)piperidin-4-yl]-2,4-dihydro-3H-1,2,4-triazol-3-one
Chemical Structure Depiction of
2-methyl-4-phenyl-5-[1-(4-phenylbutanoyl)piperidin-4-yl]-2,4-dihydro-3H-1,2,4-triazol-3-one
2-methyl-4-phenyl-5-[1-(4-phenylbutanoyl)piperidin-4-yl]-2,4-dihydro-3H-1,2,4-triazol-3-one
Compound characteristics
| Compound ID: | S559-0652 |
| Compound Name: | 2-methyl-4-phenyl-5-[1-(4-phenylbutanoyl)piperidin-4-yl]-2,4-dihydro-3H-1,2,4-triazol-3-one |
| Molecular Weight: | 404.51 |
| Molecular Formula: | C24 H28 N4 O2 |
| Smiles: | CN1C(N(C(C2CCN(CC2)C(CCCc2ccccc2)=O)=N1)c1ccccc1)=O |
| Stereo: | ACHIRAL |
| logP: | 3.8814 |
| logD: | 3.8812 |
| logSw: | -3.872 |
| Hydrogen bond acceptors count: | 5 |
| Polar surface area: | 47.606 |
| InChI Key: | NDYWLDSDMJNZRT-UHFFFAOYSA-N |