4'-{[(6-{[4-(3-methylbenzene-1-sulfonyl)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-methylbenzene-1-sulfonyl)piperazin-1-yl]methyl}-4-oxo-4H-pyran-3-yl)oxy]methyl}[1,1'-biphenyl]-2-carbonitrile
4'-{[(6-{[4-(3-methylbenzene-1-sulfonyl)piperazin-1-yl]methyl}-4-oxo-4H-pyran-3-yl)oxy]methyl}[1,1'-biphenyl]-2-carbonitrile
Compound characteristics
| Compound ID: | V006-3945 |
| Compound Name: | 4'-{[(6-{[4-(3-methylbenzene-1-sulfonyl)piperazin-1-yl]methyl}-4-oxo-4H-pyran-3-yl)oxy]methyl}[1,1'-biphenyl]-2-carbonitrile |
| Molecular Weight: | 555.65 |
| Molecular Formula: | C31 H29 N3 O5 S |
| Salt: | not_available |
| Smiles: | Cc1cccc(c1)S(N1CCN(CC1)CC1=CC(C(=CO1)OCc1ccc(cc1)c1ccccc1C#N)=O)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.1203 |
| logD: | 4.1202 |
| logSw: | -4.3077 |
| Hydrogen bond acceptors count: | 11 |
| Polar surface area: | 82.187 |
| InChI Key: | NFNPROVXSLZXLT-UHFFFAOYSA-N |