4'-{[(6-{[4-(3,5-dimethyl-1,2-oxazole-4-carbonyl)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-dimethyl-1,2-oxazole-4-carbonyl)piperazin-1-yl]methyl}-4-oxo-4H-pyran-3-yl)oxy]methyl}[1,1'-biphenyl]-2-carbonitrile
4'-{[(6-{[4-(3,5-dimethyl-1,2-oxazole-4-carbonyl)piperazin-1-yl]methyl}-4-oxo-4H-pyran-3-yl)oxy]methyl}[1,1'-biphenyl]-2-carbonitrile
Compound characteristics
| Compound ID: | V008-5050 |
| Compound Name: | 4'-{[(6-{[4-(3,5-dimethyl-1,2-oxazole-4-carbonyl)piperazin-1-yl]methyl}-4-oxo-4H-pyran-3-yl)oxy]methyl}[1,1'-biphenyl]-2-carbonitrile |
| Molecular Weight: | 524.58 |
| Molecular Formula: | C30 H28 N4 O5 |
| Salt: | not_available |
| Smiles: | Cc1c(C(N2CCN(CC2)CC2=CC(C(=CO2)OCc2ccc(cc2)c2ccccc2C#N)=O)=O)c(C)on1 |
| Stereo: | ACHIRAL |
| logP: | 2.573 |
| logD: | 2.5727 |
| logSw: | -3.0111 |
| Hydrogen bond acceptors count: | 10 |
| Polar surface area: | 89.162 |
| InChI Key: | QCOCUKGVWYEKLU-UHFFFAOYSA-N |