4-phenyl-5-[1-(3,4,5-trimethoxybenzoyl)piperidin-4-yl]-2,4-dihydro-3H-1,2,4-triazol-3-one
Chemical Structure Depiction of
4-phenyl-5-[1-(3,4,5-trimethoxybenzoyl)piperidin-4-yl]-2,4-dihydro-3H-1,2,4-triazol-3-one
4-phenyl-5-[1-(3,4,5-trimethoxybenzoyl)piperidin-4-yl]-2,4-dihydro-3H-1,2,4-triazol-3-one
Compound characteristics
| Compound ID: | S383-2129 |
| Compound Name: | 4-phenyl-5-[1-(3,4,5-trimethoxybenzoyl)piperidin-4-yl]-2,4-dihydro-3H-1,2,4-triazol-3-one |
| Molecular Weight: | 438.48 |
| Molecular Formula: | C23 H26 N4 O5 |
| Smiles: | COc1cc(cc(c1OC)OC)C(N1CCC(CC1)C1=NNC(N1c1ccccc1)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.4014 |
| logD: | 2.3782 |
| logSw: | -2.9905 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 79.762 |
| InChI Key: | KXKHJOOBYFJJLI-UHFFFAOYSA-N |