methyl (7-{2-[2,5-diethoxy-4-(morpholin-4-yl)anilino]-2-oxoethoxy}-4-methyl-2-oxo-2H-1-benzopyran-3-yl)acetate
Chemical Structure Depiction of
methyl (7-{2-[2,5-diethoxy-4-(morpholin-4-yl)anilino]-2-oxoethoxy}-4-methyl-2-oxo-2H-1-benzopyran-3-yl)acetate
methyl (7-{2-[2,5-diethoxy-4-(morpholin-4-yl)anilino]-2-oxoethoxy}-4-methyl-2-oxo-2H-1-benzopyran-3-yl)acetate
Compound characteristics
| Compound ID: | Y040-8222 |
| Compound Name: | methyl (7-{2-[2,5-diethoxy-4-(morpholin-4-yl)anilino]-2-oxoethoxy}-4-methyl-2-oxo-2H-1-benzopyran-3-yl)acetate |
| Molecular Weight: | 554.6 |
| Molecular Formula: | C29 H34 N2 O9 |
| Smiles: | CCOc1cc(c(cc1NC(COc1ccc2C(C)=C(CC(=O)OC)C(=O)Oc2c1)=O)OCC)N1CCOCC1 |
| Stereo: | ACHIRAL |
| logP: | 3.5427 |
| logD: | 3.54 |
| logSw: | -3.8023 |
| Hydrogen bond acceptors count: | 12 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 96.899 |
| InChI Key: | FZLXLWIRTOJRIW-UHFFFAOYSA-N |