2-{[4-(4-butoxybenzene-1-sulfonyl)piperazin-1-yl]methyl}-5-{[4-(methylsulfanyl)phenyl]methoxy}-4H-pyran-4-one
Chemical Structure Depiction of
2-{[4-(4-butoxybenzene-1-sulfonyl)piperazin-1-yl]methyl}-5-{[4-(methylsulfanyl)phenyl]methoxy}-4H-pyran-4-one
2-{[4-(4-butoxybenzene-1-sulfonyl)piperazin-1-yl]methyl}-5-{[4-(methylsulfanyl)phenyl]methoxy}-4H-pyran-4-one
Compound characteristics
| Compound ID: | V008-3994 |
| Compound Name: | 2-{[4-(4-butoxybenzene-1-sulfonyl)piperazin-1-yl]methyl}-5-{[4-(methylsulfanyl)phenyl]methoxy}-4H-pyran-4-one |
| Molecular Weight: | 558.72 |
| Molecular Formula: | C28 H34 N2 O6 S2 |
| Salt: | not_available |
| Smiles: | CCCCOc1ccc(cc1)S(N1CCN(CC1)CC1=CC(C(=CO1)OCc1ccc(cc1)SC)=O)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.8098 |
| logD: | 4.8096 |
| logSw: | -4.5126 |
| Hydrogen bond acceptors count: | 12 |
| Polar surface area: | 72.82 |
| InChI Key: | OQEDPAVSYUOEDB-UHFFFAOYSA-N |