methyl {7-[2-(3,5-dimethylanilino)-2-oxoethoxy]-4-methyl-2-oxo-2H-1-benzopyran-3-yl}acetate
Chemical Structure Depiction of
methyl {7-[2-(3,5-dimethylanilino)-2-oxoethoxy]-4-methyl-2-oxo-2H-1-benzopyran-3-yl}acetate
methyl {7-[2-(3,5-dimethylanilino)-2-oxoethoxy]-4-methyl-2-oxo-2H-1-benzopyran-3-yl}acetate
Compound characteristics
| Compound ID: | Y040-2562 |
| Compound Name: | methyl {7-[2-(3,5-dimethylanilino)-2-oxoethoxy]-4-methyl-2-oxo-2H-1-benzopyran-3-yl}acetate |
| Molecular Weight: | 409.44 |
| Molecular Formula: | C23 H23 N O6 |
| Smiles: | CC1=C(CC(=O)OC)C(=O)Oc2cc(ccc12)OCC(Nc1cc(C)cc(C)c1)=O |
| Stereo: | ACHIRAL |
| logP: | 3.6369 |
| logD: | 3.6369 |
| logSw: | -3.9113 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 72.116 |
| InChI Key: | JYMUXSADVIGYFL-UHFFFAOYSA-N |