5-[1-(4-methoxy-2-methylbenzoyl)piperidin-4-yl]-2-methyl-4-phenyl-2,4-dihydro-3H-1,2,4-triazol-3-one
Chemical Structure Depiction of
5-[1-(4-methoxy-2-methylbenzoyl)piperidin-4-yl]-2-methyl-4-phenyl-2,4-dihydro-3H-1,2,4-triazol-3-one
5-[1-(4-methoxy-2-methylbenzoyl)piperidin-4-yl]-2-methyl-4-phenyl-2,4-dihydro-3H-1,2,4-triazol-3-one
Compound characteristics
| Compound ID: | S559-0656 |
| Compound Name: | 5-[1-(4-methoxy-2-methylbenzoyl)piperidin-4-yl]-2-methyl-4-phenyl-2,4-dihydro-3H-1,2,4-triazol-3-one |
| Molecular Weight: | 406.48 |
| Molecular Formula: | C23 H26 N4 O3 |
| Smiles: | Cc1cc(ccc1C(N1CCC(CC1)C1=NN(C)C(N1c1ccccc1)=O)=O)OC |
| Stereo: | ACHIRAL |
| logP: | 3.2838 |
| logD: | 3.2836 |
| logSw: | -3.5174 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 55.677 |
| InChI Key: | FCZACNASRWLMMH-UHFFFAOYSA-N |