2-({4-[2-(propylsulfanyl)pyridine-3-carbonyl]piperazin-1-yl}methyl)-5-{[4-(trifluoromethyl)phenyl]methoxy}-4H-pyran-4-one
Chemical Structure Depiction of
2-({4-[2-(propylsulfanyl)pyridine-3-carbonyl]piperazin-1-yl}methyl)-5-{[4-(trifluoromethyl)phenyl]methoxy}-4H-pyran-4-one
2-({4-[2-(propylsulfanyl)pyridine-3-carbonyl]piperazin-1-yl}methyl)-5-{[4-(trifluoromethyl)phenyl]methoxy}-4H-pyran-4-one
Compound characteristics
| Compound ID: | V006-3657 |
| Compound Name: | 2-({4-[2-(propylsulfanyl)pyridine-3-carbonyl]piperazin-1-yl}methyl)-5-{[4-(trifluoromethyl)phenyl]methoxy}-4H-pyran-4-one |
| Molecular Weight: | 547.6 |
| Molecular Formula: | C27 H28 F3 N3 O4 S |
| Salt: | not_available |
| Smiles: | CCCSc1c(cccn1)C(N1CCN(CC1)CC1=CC(C(=CO1)OCc1ccc(cc1)C(F)(F)F)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.7115 |
| logD: | 3.7111 |
| logSw: | -3.8615 |
| Hydrogen bond acceptors count: | 9 |
| Polar surface area: | 59.519 |
| InChI Key: | AATZWJJZNUFIGD-UHFFFAOYSA-N |