5-[1-(2-methylbenzoyl)piperidin-4-yl]-4-phenyl-2,4-dihydro-3H-1,2,4-triazol-3-one
Chemical Structure Depiction of
5-[1-(2-methylbenzoyl)piperidin-4-yl]-4-phenyl-2,4-dihydro-3H-1,2,4-triazol-3-one
5-[1-(2-methylbenzoyl)piperidin-4-yl]-4-phenyl-2,4-dihydro-3H-1,2,4-triazol-3-one
Compound characteristics
| Compound ID: | S383-2098 |
| Compound Name: | 5-[1-(2-methylbenzoyl)piperidin-4-yl]-4-phenyl-2,4-dihydro-3H-1,2,4-triazol-3-one |
| Molecular Weight: | 362.43 |
| Molecular Formula: | C21 H22 N4 O2 |
| Smiles: | Cc1ccccc1C(N1CCC(CC1)C1=NNC(N1c1ccccc1)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.0769 |
| logD: | 3.0537 |
| logSw: | -3.3289 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 56.784 |
| InChI Key: | AYTVOIWXONPTNV-UHFFFAOYSA-N |