5-[1-(2,4-dimethylbenzoyl)piperidin-4-yl]-4-[(4-methoxyphenyl)methyl]-2,4-dihydro-3H-1,2,4-triazol-3-one
Chemical Structure Depiction of
5-[1-(2,4-dimethylbenzoyl)piperidin-4-yl]-4-[(4-methoxyphenyl)methyl]-2,4-dihydro-3H-1,2,4-triazol-3-one
5-[1-(2,4-dimethylbenzoyl)piperidin-4-yl]-4-[(4-methoxyphenyl)methyl]-2,4-dihydro-3H-1,2,4-triazol-3-one
Compound characteristics
| Compound ID: | S383-1808 |
| Compound Name: | 5-[1-(2,4-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: | Cc1ccc(C(N2CCC(CC2)C2=NNC(N2Cc2ccc(cc2)OC)=O)=O)c(C)c1 |
| Stereo: | ACHIRAL |
| logP: | 4.2906 |
| logD: | 4.29 |
| logSw: | -4.1689 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 64.939 |
| InChI Key: | JSQRCCSJRHJUCH-UHFFFAOYSA-N |