5-[1-(5-chloro-2-methoxybenzoyl)piperidin-4-yl]-4-phenyl-2,4-dihydro-3H-1,2,4-triazol-3-one
Chemical Structure Depiction of
5-[1-(5-chloro-2-methoxybenzoyl)piperidin-4-yl]-4-phenyl-2,4-dihydro-3H-1,2,4-triazol-3-one
5-[1-(5-chloro-2-methoxybenzoyl)piperidin-4-yl]-4-phenyl-2,4-dihydro-3H-1,2,4-triazol-3-one
Compound characteristics
| Compound ID: | S383-2270 |
| Compound Name: | 5-[1-(5-chloro-2-methoxybenzoyl)piperidin-4-yl]-4-phenyl-2,4-dihydro-3H-1,2,4-triazol-3-one |
| Molecular Weight: | 412.87 |
| Molecular Formula: | C21 H21 Cl N4 O3 |
| Smiles: | COc1ccc(cc1C(N1CCC(CC1)C1=NNC(N1c1ccccc1)=O)=O)[Cl] |
| Stereo: | ACHIRAL |
| logP: | 3.3415 |
| logD: | 3.3183 |
| logSw: | -3.7137 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 64.414 |
| InChI Key: | DDUKGDPGBGOBGG-UHFFFAOYSA-N |