2-methyl-5-[1-(3-methylbenzoyl)piperidin-4-yl]-4-phenyl-2,4-dihydro-3H-1,2,4-triazol-3-one
Chemical Structure Depiction of
2-methyl-5-[1-(3-methylbenzoyl)piperidin-4-yl]-4-phenyl-2,4-dihydro-3H-1,2,4-triazol-3-one
2-methyl-5-[1-(3-methylbenzoyl)piperidin-4-yl]-4-phenyl-2,4-dihydro-3H-1,2,4-triazol-3-one
Compound characteristics
| Compound ID: | S559-0611 |
| Compound Name: | 2-methyl-5-[1-(3-methylbenzoyl)piperidin-4-yl]-4-phenyl-2,4-dihydro-3H-1,2,4-triazol-3-one |
| Molecular Weight: | 376.46 |
| Molecular Formula: | C22 H24 N4 O2 |
| Smiles: | Cc1cccc(c1)C(N1CCC(CC1)C1=NN(C)C(N1c1ccccc1)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.9993 |
| logD: | 2.9991 |
| logSw: | -3.1017 |
| Hydrogen bond acceptors count: | 5 |
| Polar surface area: | 48.133 |
| InChI Key: | WGNGVCVVYAVJQZ-UHFFFAOYSA-N |