3-[4-({5-[(3,5-dimethylphenyl)methoxy]-4-oxo-4H-pyran-2-yl}methyl)piperazine-1-sulfonyl]benzonitrile
Chemical Structure Depiction of
3-[4-({5-[(3,5-dimethylphenyl)methoxy]-4-oxo-4H-pyran-2-yl}methyl)piperazine-1-sulfonyl]benzonitrile
3-[4-({5-[(3,5-dimethylphenyl)methoxy]-4-oxo-4H-pyran-2-yl}methyl)piperazine-1-sulfonyl]benzonitrile
Compound characteristics
| Compound ID: | V006-2714 |
| Compound Name: | 3-[4-({5-[(3,5-dimethylphenyl)methoxy]-4-oxo-4H-pyran-2-yl}methyl)piperazine-1-sulfonyl]benzonitrile |
| Molecular Weight: | 493.58 |
| Molecular Formula: | C26 H27 N3 O5 S |
| Salt: | not_available |
| Smiles: | Cc1cc(C)cc(COC2=COC(CN3CCN(CC3)S(c3cccc(C#N)c3)(=O)=O)=CC2=O)c1 |
| Stereo: | ACHIRAL |
| logP: | 3.5995 |
| logD: | 3.5993 |
| logSw: | -3.7533 |
| Hydrogen bond acceptors count: | 11 |
| Polar surface area: | 82.458 |
| InChI Key: | KKIGFNIOOTZPSH-UHFFFAOYSA-N |