[(3-benzyl-4,7-dimethyl-2-oxo-2H-1-benzopyran-5-yl)oxy]acetonitrile
Chemical Structure Depiction of
[(3-benzyl-4,7-dimethyl-2-oxo-2H-1-benzopyran-5-yl)oxy]acetonitrile
[(3-benzyl-4,7-dimethyl-2-oxo-2H-1-benzopyran-5-yl)oxy]acetonitrile
Compound characteristics
| Compound ID: | Y040-7456 |
| Compound Name: | [(3-benzyl-4,7-dimethyl-2-oxo-2H-1-benzopyran-5-yl)oxy]acetonitrile |
| Molecular Weight: | 319.36 |
| Molecular Formula: | C20 H17 N O3 |
| Smiles: | CC1=C(Cc2ccccc2)C(=O)Oc2cc(C)cc(c12)OCC#N |
| Stereo: | ACHIRAL |
| logP: | 4.1133 |
| logD: | 4.1133 |
| logSw: | -4.5716 |
| Hydrogen bond acceptors count: | 5 |
| Polar surface area: | 45.885 |
| InChI Key: | MIPHGQNKZGKRKM-UHFFFAOYSA-N |