methyl {6-chloro-7-[(2-methoxy-5-nitrophenyl)methoxy]-4-methyl-2-oxo-2H-1-benzopyran-3-yl}acetate
Chemical Structure Depiction of
methyl {6-chloro-7-[(2-methoxy-5-nitrophenyl)methoxy]-4-methyl-2-oxo-2H-1-benzopyran-3-yl}acetate
methyl {6-chloro-7-[(2-methoxy-5-nitrophenyl)methoxy]-4-methyl-2-oxo-2H-1-benzopyran-3-yl}acetate
Compound characteristics
| Compound ID: | Y040-7961 |
| Compound Name: | methyl {6-chloro-7-[(2-methoxy-5-nitrophenyl)methoxy]-4-methyl-2-oxo-2H-1-benzopyran-3-yl}acetate |
| Molecular Weight: | 447.83 |
| Molecular Formula: | C21 H18 Cl N O8 |
| Smiles: | CC1=C(CC(=O)OC)C(=O)Oc2cc(c(cc12)[Cl])OCc1cc(ccc1OC)[N+]([O-])=O |
| Stereo: | ACHIRAL |
| logP: | 4.275 |
| logD: | 4.275 |
| logSw: | -4.7158 |
| Hydrogen bond acceptors count: | 12 |
| Polar surface area: | 90.065 |
| InChI Key: | NMDLFRTVOPFHJC-UHFFFAOYSA-N |