methyl {6-chloro-4-methyl-7-[2-(3-nitrophenyl)-2-oxoethoxy]-2-oxo-2H-1-benzopyran-3-yl}acetate
Chemical Structure Depiction of
methyl {6-chloro-4-methyl-7-[2-(3-nitrophenyl)-2-oxoethoxy]-2-oxo-2H-1-benzopyran-3-yl}acetate
methyl {6-chloro-4-methyl-7-[2-(3-nitrophenyl)-2-oxoethoxy]-2-oxo-2H-1-benzopyran-3-yl}acetate
Compound characteristics
| Compound ID: | Y041-1383 |
| Compound Name: | methyl {6-chloro-4-methyl-7-[2-(3-nitrophenyl)-2-oxoethoxy]-2-oxo-2H-1-benzopyran-3-yl}acetate |
| Molecular Weight: | 445.81 |
| Molecular Formula: | C21 H16 Cl N O8 |
| Smiles: | CC1=C(CC(=O)OC)C(=O)Oc2cc(c(cc12)[Cl])OCC(c1cccc(c1)[N+]([O-])=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.1536 |
| logD: | 4.1536 |
| logSw: | -4.6867 |
| Hydrogen bond acceptors count: | 13 |
| Polar surface area: | 95.682 |
| InChI Key: | GNWWEBFXQKVGOC-UHFFFAOYSA-N |