2-{[4-(5-bromopyridine-3-carbonyl)piperazin-1-yl]methyl}-5-[(3,5-dimethylphenyl)methoxy]-4H-pyran-4-one
Chemical Structure Depiction of
2-{[4-(5-bromopyridine-3-carbonyl)piperazin-1-yl]methyl}-5-[(3,5-dimethylphenyl)methoxy]-4H-pyran-4-one
2-{[4-(5-bromopyridine-3-carbonyl)piperazin-1-yl]methyl}-5-[(3,5-dimethylphenyl)methoxy]-4H-pyran-4-one
Compound characteristics
| Compound ID: | V031-2670 |
| Compound Name: | 2-{[4-(5-bromopyridine-3-carbonyl)piperazin-1-yl]methyl}-5-[(3,5-dimethylphenyl)methoxy]-4H-pyran-4-one |
| Molecular Weight: | 512.4 |
| Molecular Formula: | C25 H26 Br N3 O4 |
| Salt: | not_available |
| Smiles: | Cc1cc(C)cc(COC2=COC(CN3CCN(CC3)C(c3cc(cnc3)[Br])=O)=CC2=O)c1 |
| Stereo: | ACHIRAL |
| logP: | 3.617 |
| logD: | 3.6167 |
| logSw: | -3.5854 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 59.947 |
| InChI Key: | BMCQYSNGKRWWDI-UHFFFAOYSA-N |