2-[(4-{2-[(4-chlorophenyl)sulfanyl]pyridine-3-carbonyl}piperazin-1-yl)methyl]-5-{[4-(trifluoromethyl)phenyl]methoxy}-4H-pyran-4-one
Chemical Structure Depiction of
2-[(4-{2-[(4-chlorophenyl)sulfanyl]pyridine-3-carbonyl}piperazin-1-yl)methyl]-5-{[4-(trifluoromethyl)phenyl]methoxy}-4H-pyran-4-one
2-[(4-{2-[(4-chlorophenyl)sulfanyl]pyridine-3-carbonyl}piperazin-1-yl)methyl]-5-{[4-(trifluoromethyl)phenyl]methoxy}-4H-pyran-4-one
Compound characteristics
| Compound ID: | V006-3669 |
| Compound Name: | 2-[(4-{2-[(4-chlorophenyl)sulfanyl]pyridine-3-carbonyl}piperazin-1-yl)methyl]-5-{[4-(trifluoromethyl)phenyl]methoxy}-4H-pyran-4-one |
| Molecular Weight: | 616.06 |
| Molecular Formula: | C30 H25 Cl F3 N3 O4 S |
| Salt: | not_available |
| Smiles: | C1CN(CCN1CC1=CC(C(=CO1)OCc1ccc(cc1)C(F)(F)F)=O)C(c1cccnc1Sc1ccc(cc1)[Cl])=O |
| Stereo: | ACHIRAL |
| logP: | 5.1434 |
| logD: | 5.143 |
| logSw: | -5.6929 |
| Hydrogen bond acceptors count: | 9 |
| Polar surface area: | 59.247 |
| InChI Key: | RBKVPUHMEMJHME-UHFFFAOYSA-N |