3-[4-({5-[(2'-cyano[1,1'-biphenyl]-4-yl)methoxy]-4-oxo-4H-pyran-2-yl}methyl)piperazine-1-carbonyl]-2-methylphenyl acetate
Chemical Structure Depiction of
3-[4-({5-[(2'-cyano[1,1'-biphenyl]-4-yl)methoxy]-4-oxo-4H-pyran-2-yl}methyl)piperazine-1-carbonyl]-2-methylphenyl acetate
3-[4-({5-[(2'-cyano[1,1'-biphenyl]-4-yl)methoxy]-4-oxo-4H-pyran-2-yl}methyl)piperazine-1-carbonyl]-2-methylphenyl acetate
Compound characteristics
| Compound ID: | V031-2627 |
| Compound Name: | 3-[4-({5-[(2'-cyano[1,1'-biphenyl]-4-yl)methoxy]-4-oxo-4H-pyran-2-yl}methyl)piperazine-1-carbonyl]-2-methylphenyl acetate |
| Molecular Weight: | 577.64 |
| Molecular Formula: | C34 H31 N3 O6 |
| Salt: | not_available |
| Smiles: | CC(=O)Oc1cccc(C(N2CCN(CC2)CC2=CC(C(=CO2)OCc2ccc(cc2)c2ccccc2C#N)=O)=O)c1C |
| Stereo: | ACHIRAL |
| logP: | 3.5073 |
| logD: | 3.5069 |
| logSw: | -3.7742 |
| Hydrogen bond acceptors count: | 11 |
| Polar surface area: | 87.962 |
| InChI Key: | HDHPOUJRBROKCQ-UHFFFAOYSA-N |