4-[(4-fluorophenyl)methyl]-5-[1-(3-methoxybenzoyl)piperidin-4-yl]-2,4-dihydro-3H-1,2,4-triazol-3-one
Chemical Structure Depiction of
4-[(4-fluorophenyl)methyl]-5-[1-(3-methoxybenzoyl)piperidin-4-yl]-2,4-dihydro-3H-1,2,4-triazol-3-one
4-[(4-fluorophenyl)methyl]-5-[1-(3-methoxybenzoyl)piperidin-4-yl]-2,4-dihydro-3H-1,2,4-triazol-3-one
Compound characteristics
| Compound ID: | S383-0935 |
| Compound Name: | 4-[(4-fluorophenyl)methyl]-5-[1-(3-methoxybenzoyl)piperidin-4-yl]-2,4-dihydro-3H-1,2,4-triazol-3-one |
| Molecular Weight: | 410.45 |
| Molecular Formula: | C22 H23 F N4 O3 |
| Smiles: | COc1cccc(c1)C(N1CCC(CC1)C1=NNC(N1Cc1ccc(cc1)F)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.2907 |
| logD: | 3.2901 |
| logSw: | -3.489 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 64.939 |
| InChI Key: | TVMGZLVHJITNAN-UHFFFAOYSA-N |