2-{[4-([1,1'-biphenyl]-3-sulfonyl)piperazin-1-yl]methyl}-5-{[4-(methylsulfanyl)phenyl]methoxy}-4H-pyran-4-one
Chemical Structure Depiction of
2-{[4-([1,1'-biphenyl]-3-sulfonyl)piperazin-1-yl]methyl}-5-{[4-(methylsulfanyl)phenyl]methoxy}-4H-pyran-4-one
2-{[4-([1,1'-biphenyl]-3-sulfonyl)piperazin-1-yl]methyl}-5-{[4-(methylsulfanyl)phenyl]methoxy}-4H-pyran-4-one
Compound characteristics
| Compound ID: | V007-1509 |
| Compound Name: | 2-{[4-([1,1'-biphenyl]-3-sulfonyl)piperazin-1-yl]methyl}-5-{[4-(methylsulfanyl)phenyl]methoxy}-4H-pyran-4-one |
| Molecular Weight: | 562.71 |
| Molecular Formula: | C30 H30 N2 O5 S2 |
| Salt: | not_available |
| Smiles: | CSc1ccc(COC2=COC(CN3CCN(CC3)S(c3cccc(c3)c3ccccc3)(=O)=O)=CC2=O)cc1 |
| Stereo: | ACHIRAL |
| logP: | 5.1198 |
| logD: | 5.1197 |
| logSw: | -5.1845 |
| Hydrogen bond acceptors count: | 11 |
| Polar surface area: | 65.13 |
| InChI Key: | PIPDUOUNYIDUJL-UHFFFAOYSA-N |