methyl 8-{4-[(5-{[4-(methylsulfanyl)phenyl]methoxy}-4-oxo-4H-pyran-2-yl)methyl]piperazin-1-yl}-8-oxooctanoate
Chemical Structure Depiction of
methyl 8-{4-[(5-{[4-(methylsulfanyl)phenyl]methoxy}-4-oxo-4H-pyran-2-yl)methyl]piperazin-1-yl}-8-oxooctanoate
methyl 8-{4-[(5-{[4-(methylsulfanyl)phenyl]methoxy}-4-oxo-4H-pyran-2-yl)methyl]piperazin-1-yl}-8-oxooctanoate
Compound characteristics
Compound ID: | V007-1641 |
Compound Name: | methyl 8-{4-[(5-{[4-(methylsulfanyl)phenyl]methoxy}-4-oxo-4H-pyran-2-yl)methyl]piperazin-1-yl}-8-oxooctanoate |
Molecular Weight: | 516.66 |
Molecular Formula: | C27 H36 N2 O6 S |
Salt: | not_available |
Smiles: | COC(CCCCCCC(N1CCN(CC1)CC1=CC(C(=CO1)OCc1ccc(cc1)SC)=O)=O)=O |
Stereo: | ACHIRAL |
logP: | 3.1031 |
logD: | 3.1024 |
logSw: | -3.2538 |
Hydrogen bond acceptors count: | 11 |
Polar surface area: | 70.662 |
InChI Key: | NQWSIMWTNJYPHG-UHFFFAOYSA-N |