4'-({[6-({4-[2-(ethylsulfanyl)pyridine-3-carbonyl]piperazin-1-yl}methyl)-4-oxo-4H-pyran-3-yl]oxy}methyl)[1,1'-biphenyl]-2-carbonitrile
Chemical Structure Depiction of
4'-({[6-({4-[2-(ethylsulfanyl)pyridine-3-carbonyl]piperazin-1-yl}methyl)-4-oxo-4H-pyran-3-yl]oxy}methyl)[1,1'-biphenyl]-2-carbonitrile
4'-({[6-({4-[2-(ethylsulfanyl)pyridine-3-carbonyl]piperazin-1-yl}methyl)-4-oxo-4H-pyran-3-yl]oxy}methyl)[1,1'-biphenyl]-2-carbonitrile
Compound characteristics
| Compound ID: | V007-9261 |
| Compound Name: | 4'-({[6-({4-[2-(ethylsulfanyl)pyridine-3-carbonyl]piperazin-1-yl}methyl)-4-oxo-4H-pyran-3-yl]oxy}methyl)[1,1'-biphenyl]-2-carbonitrile |
| Molecular Weight: | 566.68 |
| Molecular Formula: | C32 H30 N4 O4 S |
| Salt: | not_available |
| Smiles: | CCSc1c(cccn1)C(N1CCN(CC1)CC1=CC(C(=CO1)OCc1ccc(cc1)c1ccccc1C#N)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.5568 |
| logD: | 3.5565 |
| logSw: | -3.6128 |
| Hydrogen bond acceptors count: | 10 |
| Polar surface area: | 76.303 |
| InChI Key: | KTCHWKGLTREPLB-UHFFFAOYSA-N |