5-[1-(5-bromofuran-2-carbonyl)piperidin-4-yl]-4-[(4-fluorophenyl)methyl]-2,4-dihydro-3H-1,2,4-triazol-3-one
Chemical Structure Depiction of
5-[1-(5-bromofuran-2-carbonyl)piperidin-4-yl]-4-[(4-fluorophenyl)methyl]-2,4-dihydro-3H-1,2,4-triazol-3-one
5-[1-(5-bromofuran-2-carbonyl)piperidin-4-yl]-4-[(4-fluorophenyl)methyl]-2,4-dihydro-3H-1,2,4-triazol-3-one
Compound characteristics
| Compound ID: | S383-0909 |
| Compound Name: | 5-[1-(5-bromofuran-2-carbonyl)piperidin-4-yl]-4-[(4-fluorophenyl)methyl]-2,4-dihydro-3H-1,2,4-triazol-3-one |
| Molecular Weight: | 449.28 |
| Molecular Formula: | C19 H18 Br F N4 O3 |
| Smiles: | C1CN(CCC1C1=NNC(N1Cc1ccc(cc1)F)=O)C(c1ccc(o1)[Br])=O |
| Stereo: | ACHIRAL |
| logP: | 3.5836 |
| logD: | 3.583 |
| logSw: | -3.4064 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 66.321 |
| InChI Key: | CUWGHAMPOKWYAZ-UHFFFAOYSA-N |