5-[(3,5-dimethylphenyl)methoxy]-2-({4-[2-(propylsulfanyl)pyridine-3-carbonyl]piperazin-1-yl}methyl)-4H-pyran-4-one
Chemical Structure Depiction of
5-[(3,5-dimethylphenyl)methoxy]-2-({4-[2-(propylsulfanyl)pyridine-3-carbonyl]piperazin-1-yl}methyl)-4H-pyran-4-one
5-[(3,5-dimethylphenyl)methoxy]-2-({4-[2-(propylsulfanyl)pyridine-3-carbonyl]piperazin-1-yl}methyl)-4H-pyran-4-one
Compound characteristics
| Compound ID: | V006-7650 |
| Compound Name: | 5-[(3,5-dimethylphenyl)methoxy]-2-({4-[2-(propylsulfanyl)pyridine-3-carbonyl]piperazin-1-yl}methyl)-4H-pyran-4-one |
| Molecular Weight: | 507.65 |
| Molecular Formula: | C28 H33 N3 O4 S |
| Salt: | not_available |
| Smiles: | CCCSc1c(cccn1)C(N1CCN(CC1)CC1=CC(C(=CO1)OCc1cc(C)cc(C)c1)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.1392 |
| logD: | 4.1388 |
| logSw: | -4.1755 |
| Hydrogen bond acceptors count: | 9 |
| Polar surface area: | 59.519 |
| InChI Key: | KGKSHPISUFMVGT-UHFFFAOYSA-N |