4'-{[(6-{[4-(3,5-dimethoxybenzoyl)piperazin-1-yl]methyl}-4-oxo-4H-pyran-3-yl)oxy]methyl}[1,1'-biphenyl]-2-carbonitrile
Chemical Structure Depiction of
4'-{[(6-{[4-(3,5-dimethoxybenzoyl)piperazin-1-yl]methyl}-4-oxo-4H-pyran-3-yl)oxy]methyl}[1,1'-biphenyl]-2-carbonitrile
4'-{[(6-{[4-(3,5-dimethoxybenzoyl)piperazin-1-yl]methyl}-4-oxo-4H-pyran-3-yl)oxy]methyl}[1,1'-biphenyl]-2-carbonitrile
Compound characteristics
| Compound ID: | V006-7674 |
| Compound Name: | 4'-{[(6-{[4-(3,5-dimethoxybenzoyl)piperazin-1-yl]methyl}-4-oxo-4H-pyran-3-yl)oxy]methyl}[1,1'-biphenyl]-2-carbonitrile |
| Molecular Weight: | 565.63 |
| Molecular Formula: | C33 H31 N3 O6 |
| Salt: | not_available |
| Smiles: | COc1cc(cc(c1)OC)C(N1CCN(CC1)CC1=CC(C(=CO1)OCc1ccc(cc1)c1ccccc1C#N)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.6238 |
| logD: | 3.6235 |
| logSw: | -3.833 |
| Hydrogen bond acceptors count: | 10 |
| Polar surface area: | 82.212 |
| InChI Key: | RKHRVGXQEBBKMD-UHFFFAOYSA-N |