3-benzyl-4,8-dimethyl-7-[(4-nitrophenyl)methoxy]-2H-1-benzopyran-2-one
Chemical Structure Depiction of
3-benzyl-4,8-dimethyl-7-[(4-nitrophenyl)methoxy]-2H-1-benzopyran-2-one
3-benzyl-4,8-dimethyl-7-[(4-nitrophenyl)methoxy]-2H-1-benzopyran-2-one
Compound characteristics
| Compound ID: | Y040-7706 |
| Compound Name: | 3-benzyl-4,8-dimethyl-7-[(4-nitrophenyl)methoxy]-2H-1-benzopyran-2-one |
| Molecular Weight: | 415.44 |
| Molecular Formula: | C25 H21 N O5 |
| Smiles: | CC1=C(Cc2ccccc2)C(=O)Oc2c1ccc(c2C)OCc1ccc(cc1)[N+]([O-])=O |
| Stereo: | ACHIRAL |
| logP: | 5.9301 |
| logD: | 5.9301 |
| logSw: | -5.6882 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 61.269 |
| InChI Key: | ADXAKPWVEMEAIG-UHFFFAOYSA-N |