4'-({[6-({4-[(benzyloxy)acetyl]piperazin-1-yl}methyl)-4-oxo-4H-pyran-3-yl]oxy}methyl)[1,1'-biphenyl]-2-carbonitrile
Chemical Structure Depiction of
4'-({[6-({4-[(benzyloxy)acetyl]piperazin-1-yl}methyl)-4-oxo-4H-pyran-3-yl]oxy}methyl)[1,1'-biphenyl]-2-carbonitrile
4'-({[6-({4-[(benzyloxy)acetyl]piperazin-1-yl}methyl)-4-oxo-4H-pyran-3-yl]oxy}methyl)[1,1'-biphenyl]-2-carbonitrile
Compound characteristics
| Compound ID: | V006-3769 |
| Compound Name: | 4'-({[6-({4-[(benzyloxy)acetyl]piperazin-1-yl}methyl)-4-oxo-4H-pyran-3-yl]oxy}methyl)[1,1'-biphenyl]-2-carbonitrile |
| Molecular Weight: | 549.63 |
| Molecular Formula: | C33 H31 N3 O5 |
| Salt: | not_available |
| Smiles: | C1CN(CCN1CC1=CC(C(=CO1)OCc1ccc(cc1)c1ccccc1C#N)=O)C(COCc1ccccc1)=O |
| Stereo: | ACHIRAL |
| logP: | 3.2526 |
| logD: | 3.252 |
| logSw: | -3.593 |
| Hydrogen bond acceptors count: | 9 |
| Polar surface area: | 75.031 |
| InChI Key: | PWSNJPGBWPITMD-UHFFFAOYSA-N |