3-ethyl-4,8-dimethyl-7-[2-(3-nitrophenyl)-2-oxoethoxy]-2H-1-benzopyran-2-one
Chemical Structure Depiction of
3-ethyl-4,8-dimethyl-7-[2-(3-nitrophenyl)-2-oxoethoxy]-2H-1-benzopyran-2-one
3-ethyl-4,8-dimethyl-7-[2-(3-nitrophenyl)-2-oxoethoxy]-2H-1-benzopyran-2-one
Compound characteristics
| Compound ID: | Y041-1390 |
| Compound Name: | 3-ethyl-4,8-dimethyl-7-[2-(3-nitrophenyl)-2-oxoethoxy]-2H-1-benzopyran-2-one |
| Molecular Weight: | 381.38 |
| Molecular Formula: | C21 H19 N O6 |
| Smiles: | CCC1=C(C)c2ccc(c(C)c2OC1=O)OCC(c1cccc(c1)[N+]([O-])=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.5643 |
| logD: | 4.5643 |
| logSw: | -4.6554 |
| Hydrogen bond acceptors count: | 10 |
| Polar surface area: | 74.787 |
| InChI Key: | KXBXAKYILHLOIN-UHFFFAOYSA-N |