3-benzyl-4,7-dimethyl-5-[2-(3-nitrophenyl)-2-oxoethoxy]-2H-1-benzopyran-2-one
Chemical Structure Depiction of
3-benzyl-4,7-dimethyl-5-[2-(3-nitrophenyl)-2-oxoethoxy]-2H-1-benzopyran-2-one
3-benzyl-4,7-dimethyl-5-[2-(3-nitrophenyl)-2-oxoethoxy]-2H-1-benzopyran-2-one
Compound characteristics
| Compound ID: | Y041-1396 |
| Compound Name: | 3-benzyl-4,7-dimethyl-5-[2-(3-nitrophenyl)-2-oxoethoxy]-2H-1-benzopyran-2-one |
| Molecular Weight: | 443.46 |
| Molecular Formula: | C26 H21 N O6 |
| Smiles: | CC1=C(Cc2ccccc2)C(=O)Oc2cc(C)cc(c12)OCC(c1cccc(c1)[N+]([O-])=O)=O |
| Stereo: | ACHIRAL |
| logP: | 5.7876 |
| logD: | 5.7876 |
| logSw: | -5.6409 |
| Hydrogen bond acceptors count: | 10 |
| Polar surface area: | 74.831 |
| InChI Key: | UAOXOWBGMZGGED-UHFFFAOYSA-N |