2-{[4-(5-bromopyridine-3-carbonyl)piperazin-1-yl]methyl}-5-[(4-fluorophenyl)methoxy]-4H-pyran-4-one
Chemical Structure Depiction of
2-{[4-(5-bromopyridine-3-carbonyl)piperazin-1-yl]methyl}-5-[(4-fluorophenyl)methoxy]-4H-pyran-4-one
2-{[4-(5-bromopyridine-3-carbonyl)piperazin-1-yl]methyl}-5-[(4-fluorophenyl)methoxy]-4H-pyran-4-one
Compound characteristics
| Compound ID: | V001-4680 |
| Compound Name: | 2-{[4-(5-bromopyridine-3-carbonyl)piperazin-1-yl]methyl}-5-[(4-fluorophenyl)methoxy]-4H-pyran-4-one |
| Molecular Weight: | 502.34 |
| Molecular Formula: | C23 H21 Br F N3 O4 |
| Salt: | not_available |
| Smiles: | C1CN(CCN1CC1=CC(C(=CO1)OCc1ccc(cc1)F)=O)C(c1cc(cnc1)[Br])=O |
| Stereo: | ACHIRAL |
| logP: | 2.3456 |
| logD: | 2.3453 |
| logSw: | -2.4048 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 59.947 |
| InChI Key: | DKUJLLQDAKCGAN-UHFFFAOYSA-N |