5-{[4-(methylsulfanyl)phenyl]methoxy}-2-[(4-tetradecanoylpiperazin-1-yl)methyl]-4H-pyran-4-one
Chemical Structure Depiction of
5-{[4-(methylsulfanyl)phenyl]methoxy}-2-[(4-tetradecanoylpiperazin-1-yl)methyl]-4H-pyran-4-one
5-{[4-(methylsulfanyl)phenyl]methoxy}-2-[(4-tetradecanoylpiperazin-1-yl)methyl]-4H-pyran-4-one
Compound characteristics
| Compound ID: | V008-0182 |
| Compound Name: | 5-{[4-(methylsulfanyl)phenyl]methoxy}-2-[(4-tetradecanoylpiperazin-1-yl)methyl]-4H-pyran-4-one |
| Molecular Weight: | 556.81 |
| Molecular Formula: | C32 H48 N2 O4 S |
| Salt: | not_available |
| Smiles: | CCCCCCCCCCCCCC(N1CCN(CC1)CC1=CC(C(=CO1)OCc1ccc(cc1)SC)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 7.641 |
| logD: | 7.6403 |
| logSw: | -5.645 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 50.083 |
| InChI Key: | QORAQOXCSYSTJV-UHFFFAOYSA-N |