2-{[4-(2,6-dichlorobenzoyl)piperazin-1-yl]methyl}-5-{[4-(methylsulfanyl)phenyl]methoxy}-4H-pyran-4-one
Chemical Structure Depiction of
2-{[4-(2,6-dichlorobenzoyl)piperazin-1-yl]methyl}-5-{[4-(methylsulfanyl)phenyl]methoxy}-4H-pyran-4-one
2-{[4-(2,6-dichlorobenzoyl)piperazin-1-yl]methyl}-5-{[4-(methylsulfanyl)phenyl]methoxy}-4H-pyran-4-one
Compound characteristics
| Compound ID: | V008-4031 |
| Compound Name: | 2-{[4-(2,6-dichlorobenzoyl)piperazin-1-yl]methyl}-5-{[4-(methylsulfanyl)phenyl]methoxy}-4H-pyran-4-one |
| Molecular Weight: | 519.45 |
| Molecular Formula: | C25 H24 Cl2 N2 O4 S |
| Salt: | not_available |
| Smiles: | CSc1ccc(COC2=COC(CN3CCN(CC3)C(c3c(cccc3[Cl])[Cl])=O)=CC2=O)cc1 |
| Stereo: | ACHIRAL |
| logP: | 4.0259 |
| logD: | 4.0255 |
| logSw: | -4.5007 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 50.339 |
| InChI Key: | LIZLCOVIKRUUMQ-UHFFFAOYSA-N |