4'-({[6-({4-[(4-methoxyphenyl)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-[(4-methoxyphenyl)acetyl]piperazin-1-yl}methyl)-4-oxo-4H-pyran-3-yl]oxy}methyl)[1,1'-biphenyl]-2-carbonitrile
4'-({[6-({4-[(4-methoxyphenyl)acetyl]piperazin-1-yl}methyl)-4-oxo-4H-pyran-3-yl]oxy}methyl)[1,1'-biphenyl]-2-carbonitrile
Compound characteristics
| Compound ID: | V006-3721 |
| Compound Name: | 4'-({[6-({4-[(4-methoxyphenyl)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: | COc1ccc(CC(N2CCN(CC2)CC2=CC(C(=CO2)OCc2ccc(cc2)c2ccccc2C#N)=O)=O)cc1 |
| Stereo: | ACHIRAL |
| logP: | 3.6858 |
| logD: | 3.6851 |
| logSw: | -3.9749 |
| Hydrogen bond acceptors count: | 9 |
| Polar surface area: | 74.14 |
| InChI Key: | JCVIMYSOYOFDNA-UHFFFAOYSA-N |