4-[(4-fluorophenyl)methyl]-5-[1-(6-methoxypyridine-3-carbonyl)piperidin-4-yl]-2,4-dihydro-3H-1,2,4-triazol-3-one
Chemical Structure Depiction of
4-[(4-fluorophenyl)methyl]-5-[1-(6-methoxypyridine-3-carbonyl)piperidin-4-yl]-2,4-dihydro-3H-1,2,4-triazol-3-one
4-[(4-fluorophenyl)methyl]-5-[1-(6-methoxypyridine-3-carbonyl)piperidin-4-yl]-2,4-dihydro-3H-1,2,4-triazol-3-one
Compound characteristics
| Compound ID: | S383-0997 |
| Compound Name: | 4-[(4-fluorophenyl)methyl]-5-[1-(6-methoxypyridine-3-carbonyl)piperidin-4-yl]-2,4-dihydro-3H-1,2,4-triazol-3-one |
| Molecular Weight: | 411.43 |
| Molecular Formula: | C21 H22 F N5 O3 |
| Smiles: | COc1ccc(cn1)C(N1CCC(CC1)C1=NNC(N1Cc1ccc(cc1)F)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.7759 |
| logD: | 2.7753 |
| logSw: | -2.8974 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 73.977 |
| InChI Key: | BSFWOAJYVBOVGZ-UHFFFAOYSA-N |