3-chloro-4-[4-({5-[(4-fluorophenyl)methoxy]-4-oxo-4H-pyran-2-yl}methyl)piperazine-1-sulfonyl]benzonitrile
Chemical Structure Depiction of
3-chloro-4-[4-({5-[(4-fluorophenyl)methoxy]-4-oxo-4H-pyran-2-yl}methyl)piperazine-1-sulfonyl]benzonitrile
3-chloro-4-[4-({5-[(4-fluorophenyl)methoxy]-4-oxo-4H-pyran-2-yl}methyl)piperazine-1-sulfonyl]benzonitrile
Compound characteristics
| Compound ID: | V008-0766 |
| Compound Name: | 3-chloro-4-[4-({5-[(4-fluorophenyl)methoxy]-4-oxo-4H-pyran-2-yl}methyl)piperazine-1-sulfonyl]benzonitrile |
| Molecular Weight: | 517.96 |
| Molecular Formula: | C24 H21 Cl F N3 O5 S |
| Salt: | not_available |
| Smiles: | C1CN(CCN1CC1=CC(C(=CO1)OCc1ccc(cc1)F)=O)S(c1ccc(C#N)cc1[Cl])(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.6583 |
| logD: | 2.6582 |
| logSw: | -3.4511 |
| Hydrogen bond acceptors count: | 11 |
| Polar surface area: | 82.458 |
| InChI Key: | GQTVQKGZRVEFMJ-UHFFFAOYSA-N |