2-{[4-(5-bromo-2-methoxybenzene-1-sulfonyl)piperazin-1-yl]methyl}-5-{[4-(methylsulfanyl)phenyl]methoxy}-4H-pyran-4-one
Chemical Structure Depiction of
2-{[4-(5-bromo-2-methoxybenzene-1-sulfonyl)piperazin-1-yl]methyl}-5-{[4-(methylsulfanyl)phenyl]methoxy}-4H-pyran-4-one
2-{[4-(5-bromo-2-methoxybenzene-1-sulfonyl)piperazin-1-yl]methyl}-5-{[4-(methylsulfanyl)phenyl]methoxy}-4H-pyran-4-one
Compound characteristics
| Compound ID: | V008-4006 |
| Compound Name: | 2-{[4-(5-bromo-2-methoxybenzene-1-sulfonyl)piperazin-1-yl]methyl}-5-{[4-(methylsulfanyl)phenyl]methoxy}-4H-pyran-4-one |
| Molecular Weight: | 595.53 |
| Molecular Formula: | C25 H27 Br N2 O6 S2 |
| Salt: | not_available |
| Smiles: | COc1ccc(cc1S(N1CCN(CC1)CC1=CC(C(=CO1)OCc1ccc(cc1)SC)=O)(=O)=O)[Br] |
| Stereo: | ACHIRAL |
| logP: | 3.9091 |
| logD: | 3.909 |
| logSw: | -4.0395 |
| Hydrogen bond acceptors count: | 12 |
| Polar surface area: | 73.032 |
| InChI Key: | JUQQXIZXSGJWSS-UHFFFAOYSA-N |