5-{[4-(methylsulfanyl)phenyl]methoxy}-2-[(4-{1-[4-(trifluoromethyl)pyrimidin-2-yl]piperidine-4-carbonyl}piperazin-1-yl)methyl]-4H-pyran-4-one
Chemical Structure Depiction of
5-{[4-(methylsulfanyl)phenyl]methoxy}-2-[(4-{1-[4-(trifluoromethyl)pyrimidin-2-yl]piperidine-4-carbonyl}piperazin-1-yl)methyl]-4H-pyran-4-one
5-{[4-(methylsulfanyl)phenyl]methoxy}-2-[(4-{1-[4-(trifluoromethyl)pyrimidin-2-yl]piperidine-4-carbonyl}piperazin-1-yl)methyl]-4H-pyran-4-one
Compound characteristics
| Compound ID: | V006-9840 |
| Compound Name: | 5-{[4-(methylsulfanyl)phenyl]methoxy}-2-[(4-{1-[4-(trifluoromethyl)pyrimidin-2-yl]piperidine-4-carbonyl}piperazin-1-yl)methyl]-4H-pyran-4-one |
| Molecular Weight: | 603.66 |
| Molecular Formula: | C29 H32 F3 N5 O4 S |
| Salt: | not_available |
| Smiles: | CSc1ccc(COC2=COC(CN3CCN(CC3)C(C3CCN(CC3)c3nccc(C(F)(F)F)n3)=O)=CC2=O)cc1 |
| Stereo: | ACHIRAL |
| logP: | 3.8478 |
| logD: | 3.8466 |
| logSw: | -3.9292 |
| Hydrogen bond acceptors count: | 10 |
| Polar surface area: | 71.722 |
| InChI Key: | WOVUNXHHMPHJJD-UHFFFAOYSA-N |