3-benzyl-7-[(2-methoxy-5-nitrophenyl)methoxy]-4,8-dimethyl-2H-1-benzopyran-2-one
Chemical Structure Depiction of
3-benzyl-7-[(2-methoxy-5-nitrophenyl)methoxy]-4,8-dimethyl-2H-1-benzopyran-2-one
3-benzyl-7-[(2-methoxy-5-nitrophenyl)methoxy]-4,8-dimethyl-2H-1-benzopyran-2-one
Compound characteristics
| Compound ID: | Y040-7707 |
| Compound Name: | 3-benzyl-7-[(2-methoxy-5-nitrophenyl)methoxy]-4,8-dimethyl-2H-1-benzopyran-2-one |
| Molecular Weight: | 445.47 |
| Molecular Formula: | C26 H23 N O6 |
| Smiles: | CC1=C(Cc2ccccc2)C(=O)Oc2c1ccc(c2C)OCc1cc(ccc1OC)[N+]([O-])=O |
| Stereo: | ACHIRAL |
| logP: | 5.7203 |
| logD: | 5.7203 |
| logSw: | -5.5468 |
| Hydrogen bond acceptors count: | 9 |
| Polar surface area: | 68.899 |
| InChI Key: | CSBKZEKLKAOLLB-UHFFFAOYSA-N |