4-{[(3-benzyl-4,7-dimethyl-2-oxo-2H-1-benzopyran-5-yl)oxy]methyl}benzonitrile
Chemical Structure Depiction of
4-{[(3-benzyl-4,7-dimethyl-2-oxo-2H-1-benzopyran-5-yl)oxy]methyl}benzonitrile
4-{[(3-benzyl-4,7-dimethyl-2-oxo-2H-1-benzopyran-5-yl)oxy]methyl}benzonitrile
Compound characteristics
| Compound ID: | Y040-1456 |
| Compound Name: | 4-{[(3-benzyl-4,7-dimethyl-2-oxo-2H-1-benzopyran-5-yl)oxy]methyl}benzonitrile |
| Molecular Weight: | 395.46 |
| Molecular Formula: | C26 H21 N O3 |
| Smiles: | CC1=C(Cc2ccccc2)C(=O)Oc2cc(C)cc(c12)OCc1ccc(C#N)cc1 |
| Stereo: | ACHIRAL |
| logP: | 5.8475 |
| logD: | 5.8475 |
| logSw: | -5.6496 |
| Hydrogen bond acceptors count: | 5 |
| Polar surface area: | 45.259 |
| InChI Key: | LFLKPYZWMGBZGG-UHFFFAOYSA-N |