4-butyl-8-methyl-7-[2-(3-nitrophenyl)-2-oxoethoxy]-2H-1-benzopyran-2-one
Chemical Structure Depiction of
4-butyl-8-methyl-7-[2-(3-nitrophenyl)-2-oxoethoxy]-2H-1-benzopyran-2-one
4-butyl-8-methyl-7-[2-(3-nitrophenyl)-2-oxoethoxy]-2H-1-benzopyran-2-one
Compound characteristics
| Compound ID: | Y041-1391 |
| Compound Name: | 4-butyl-8-methyl-7-[2-(3-nitrophenyl)-2-oxoethoxy]-2H-1-benzopyran-2-one |
| Molecular Weight: | 395.41 |
| Molecular Formula: | C22 H21 N O6 |
| Smiles: | CCCCC1=CC(=O)Oc2c1ccc(c2C)OCC(c1cccc(c1)[N+]([O-])=O)=O |
| Stereo: | ACHIRAL |
| logP: | 5.0455 |
| logD: | 5.0455 |
| logSw: | -4.8365 |
| Hydrogen bond acceptors count: | 10 |
| Polar surface area: | 74.273 |
| InChI Key: | ZAIBDGUZARIHLJ-UHFFFAOYSA-N |