5-[1-(5-chloro-2-methoxybenzoyl)piperidin-4-yl]-2-methyl-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]-2-methyl-4-phenyl-2,4-dihydro-3H-1,2,4-triazol-3-one
5-[1-(5-chloro-2-methoxybenzoyl)piperidin-4-yl]-2-methyl-4-phenyl-2,4-dihydro-3H-1,2,4-triazol-3-one
Compound characteristics
| Compound ID: | S559-0651 |
| Compound Name: | 5-[1-(5-chloro-2-methoxybenzoyl)piperidin-4-yl]-2-methyl-4-phenyl-2,4-dihydro-3H-1,2,4-triazol-3-one |
| Molecular Weight: | 426.9 |
| Molecular Formula: | C22 H23 Cl N4 O3 |
| Smiles: | CN1C(N(C(C2CCN(CC2)C(c2cc(ccc2OC)[Cl])=O)=N1)c1ccccc1)=O |
| Stereo: | ACHIRAL |
| logP: | 3.3675 |
| logD: | 3.3673 |
| logSw: | -3.6406 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 55.764 |
| InChI Key: | PTCSSSSGBSQBJQ-UHFFFAOYSA-N |