4'-({[6-({4-[3-(methylsulfanyl)propanoyl]piperazin-1-yl}methyl)-4-oxo-4H-pyran-3-yl]oxy}methyl)[1,1'-biphenyl]-2-carbonitrile
Chemical Structure Depiction of
4'-({[6-({4-[3-(methylsulfanyl)propanoyl]piperazin-1-yl}methyl)-4-oxo-4H-pyran-3-yl]oxy}methyl)[1,1'-biphenyl]-2-carbonitrile
4'-({[6-({4-[3-(methylsulfanyl)propanoyl]piperazin-1-yl}methyl)-4-oxo-4H-pyran-3-yl]oxy}methyl)[1,1'-biphenyl]-2-carbonitrile
Compound characteristics
| Compound ID: | V008-3103 |
| Compound Name: | 4'-({[6-({4-[3-(methylsulfanyl)propanoyl]piperazin-1-yl}methyl)-4-oxo-4H-pyran-3-yl]oxy}methyl)[1,1'-biphenyl]-2-carbonitrile |
| Molecular Weight: | 503.62 |
| Molecular Formula: | C28 H29 N3 O4 S |
| Salt: | not_available |
| Smiles: | CSCCC(N1CCN(CC1)CC1=CC(C(=CO1)OCc1ccc(cc1)c1ccccc1C#N)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.6618 |
| logD: | 2.661 |
| logSw: | -3.2707 |
| Hydrogen bond acceptors count: | 9 |
| Polar surface area: | 66.868 |
| InChI Key: | WSMUFMUGGORBKC-UHFFFAOYSA-N |