methyl {7-[2-(3-bromoanilino)-2-oxoethoxy]-4,8-dimethyl-2-oxo-2H-1-benzopyran-3-yl}acetate
Chemical Structure Depiction of
methyl {7-[2-(3-bromoanilino)-2-oxoethoxy]-4,8-dimethyl-2-oxo-2H-1-benzopyran-3-yl}acetate
methyl {7-[2-(3-bromoanilino)-2-oxoethoxy]-4,8-dimethyl-2-oxo-2H-1-benzopyran-3-yl}acetate
Compound characteristics
| Compound ID: | Y040-2545 |
| Compound Name: | methyl {7-[2-(3-bromoanilino)-2-oxoethoxy]-4,8-dimethyl-2-oxo-2H-1-benzopyran-3-yl}acetate |
| Molecular Weight: | 474.31 |
| Molecular Formula: | C22 H20 Br N O6 |
| Smiles: | CC1=C(CC(=O)OC)C(=O)Oc2c1ccc(c2C)OCC(Nc1cccc(c1)[Br])=O |
| Stereo: | ACHIRAL |
| logP: | 4.3271 |
| logD: | 4.3269 |
| logSw: | -4.5644 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 71.887 |
| InChI Key: | MDXJFBYTULSWLE-UHFFFAOYSA-N |