N-{4-[4-({5-[(2'-cyano[1,1'-biphenyl]-4-yl)methoxy]-4-oxo-4H-pyran-2-yl}methyl)piperazine-1-carbonyl]phenyl}acetamide
Chemical Structure Depiction of
N-{4-[4-({5-[(2'-cyano[1,1'-biphenyl]-4-yl)methoxy]-4-oxo-4H-pyran-2-yl}methyl)piperazine-1-carbonyl]phenyl}acetamide
N-{4-[4-({5-[(2'-cyano[1,1'-biphenyl]-4-yl)methoxy]-4-oxo-4H-pyran-2-yl}methyl)piperazine-1-carbonyl]phenyl}acetamide
Compound characteristics
| Compound ID: | V031-2637 |
| Compound Name: | N-{4-[4-({5-[(2'-cyano[1,1'-biphenyl]-4-yl)methoxy]-4-oxo-4H-pyran-2-yl}methyl)piperazine-1-carbonyl]phenyl}acetamide |
| Molecular Weight: | 562.63 |
| Molecular Formula: | C33 H30 N4 O5 |
| Salt: | not_available |
| Smiles: | CC(Nc1ccc(cc1)C(N1CCN(CC1)CC1=CC(C(=CO1)OCc1ccc(cc1)c1ccccc1C#N)=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.6253 |
| logD: | 2.6248 |
| logSw: | -3.4461 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 90.386 |
| InChI Key: | DPVCLKKRFJIMAU-UHFFFAOYSA-N |