2-{[4-(2-chloro-5-fluorobenzoyl)piperazin-1-yl]methyl}-5-[(3,5-dimethylphenyl)methoxy]-4H-pyran-4-one
Chemical Structure Depiction of
2-{[4-(2-chloro-5-fluorobenzoyl)piperazin-1-yl]methyl}-5-[(3,5-dimethylphenyl)methoxy]-4H-pyran-4-one
2-{[4-(2-chloro-5-fluorobenzoyl)piperazin-1-yl]methyl}-5-[(3,5-dimethylphenyl)methoxy]-4H-pyran-4-one
Compound characteristics
| Compound ID: | V001-3497 |
| Compound Name: | 2-{[4-(2-chloro-5-fluorobenzoyl)piperazin-1-yl]methyl}-5-[(3,5-dimethylphenyl)methoxy]-4H-pyran-4-one |
| Molecular Weight: | 484.95 |
| Molecular Formula: | C26 H26 Cl F N2 O4 |
| Salt: | not_available |
| Smiles: | Cc1cc(C)cc(COC2=COC(CN3CCN(CC3)C(c3cc(ccc3[Cl])F)=O)=CC2=O)c1 |
| Stereo: | ACHIRAL |
| logP: | 4.5878 |
| logD: | 4.5875 |
| logSw: | -4.7311 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 50.339 |
| InChI Key: | DIWRJQSXYVCXQW-UHFFFAOYSA-N |