4'-{[(4-oxo-6-{[4-(tricyclo[3.3.1.1~3,7~]decane-1-carbonyl)piperazin-1-yl]methyl}-4H-pyran-3-yl)oxy]methyl}[1,1'-biphenyl]-2-carbonitrile
Chemical Structure Depiction of
4'-{[(4-oxo-6-{[4-(tricyclo[3.3.1.1~3,7~]decane-1-carbonyl)piperazin-1-yl]methyl}-4H-pyran-3-yl)oxy]methyl}[1,1'-biphenyl]-2-carbonitrile
4'-{[(4-oxo-6-{[4-(tricyclo[3.3.1.1~3,7~]decane-1-carbonyl)piperazin-1-yl]methyl}-4H-pyran-3-yl)oxy]methyl}[1,1'-biphenyl]-2-carbonitrile
Compound characteristics
| Compound ID: | V008-0777 |
| Compound Name: | 4'-{[(4-oxo-6-{[4-(tricyclo[3.3.1.1~3,7~]decane-1-carbonyl)piperazin-1-yl]methyl}-4H-pyran-3-yl)oxy]methyl}[1,1'-biphenyl]-2-carbonitrile |
| Molecular Weight: | 563.7 |
| Molecular Formula: | C35 H37 N3 O4 |
| Salt: | not_available |
| Smiles: | [H][C@]12CC3(C[C@]([H])(C1)C[C@@]([H])(C3)C2)C(N1CCN(CC1)CC1=CC(C(=CO1)OCc1ccc(cc1)c1ccccc1C#N)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 5.3162 |
| logD: | 5.3143 |
| logSw: | -5.684 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 67.157 |
| InChI Key: | BJDIGBUVNYHLOJ-UHFFFAOYSA-N |