5-[1-(3,5-dimethylbenzoyl)piperidin-4-yl]-4-[(4-methoxyphenyl)methyl]-2,4-dihydro-3H-1,2,4-triazol-3-one
Chemical Structure Depiction of
5-[1-(3,5-dimethylbenzoyl)piperidin-4-yl]-4-[(4-methoxyphenyl)methyl]-2,4-dihydro-3H-1,2,4-triazol-3-one
5-[1-(3,5-dimethylbenzoyl)piperidin-4-yl]-4-[(4-methoxyphenyl)methyl]-2,4-dihydro-3H-1,2,4-triazol-3-one
Compound characteristics
| Compound ID: | S383-1794 |
| Compound Name: | 5-[1-(3,5-dimethylbenzoyl)piperidin-4-yl]-4-[(4-methoxyphenyl)methyl]-2,4-dihydro-3H-1,2,4-triazol-3-one |
| Molecular Weight: | 420.51 |
| Molecular Formula: | C24 H28 N4 O3 |
| Smiles: | Cc1cc(C)cc(c1)C(N1CCC(CC1)C1=NNC(N1Cc1ccc(cc1)OC)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.0503 |
| logD: | 4.0497 |
| logSw: | -4.0729 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 64.939 |
| InChI Key: | DIRXMQJHYKBNNW-UHFFFAOYSA-N |