5-[(2-chlorophenyl)methoxy]-2-({4-[2-(methylsulfanyl)pyridine-3-carbonyl]piperazin-1-yl}methyl)-4H-pyran-4-one
Chemical Structure Depiction of
5-[(2-chlorophenyl)methoxy]-2-({4-[2-(methylsulfanyl)pyridine-3-carbonyl]piperazin-1-yl}methyl)-4H-pyran-4-one
5-[(2-chlorophenyl)methoxy]-2-({4-[2-(methylsulfanyl)pyridine-3-carbonyl]piperazin-1-yl}methyl)-4H-pyran-4-one
Compound characteristics
| Compound ID: | V009-2687 |
| Compound Name: | 5-[(2-chlorophenyl)methoxy]-2-({4-[2-(methylsulfanyl)pyridine-3-carbonyl]piperazin-1-yl}methyl)-4H-pyran-4-one |
| Molecular Weight: | 485.99 |
| Molecular Formula: | C24 H24 Cl N3 O4 S |
| Salt: | not_available |
| Smiles: | CSc1c(cccn1)C(N1CCN(CC1)CC1=CC(C(=CO1)OCc1ccccc1[Cl])=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.6072 |
| logD: | 2.6069 |
| logSw: | -3.3861 |
| Hydrogen bond acceptors count: | 9 |
| Polar surface area: | 59.519 |
| InChI Key: | SMMVCNUNDSVXBL-UHFFFAOYSA-N |