methyl {7-[2-(5-chloro-2-methylanilino)-2-oxoethoxy]-4-methyl-2-oxo-2H-1-benzopyran-3-yl}acetate
Chemical Structure Depiction of
methyl {7-[2-(5-chloro-2-methylanilino)-2-oxoethoxy]-4-methyl-2-oxo-2H-1-benzopyran-3-yl}acetate
methyl {7-[2-(5-chloro-2-methylanilino)-2-oxoethoxy]-4-methyl-2-oxo-2H-1-benzopyran-3-yl}acetate
Compound characteristics
| Compound ID: | Y040-2609 |
| Compound Name: | methyl {7-[2-(5-chloro-2-methylanilino)-2-oxoethoxy]-4-methyl-2-oxo-2H-1-benzopyran-3-yl}acetate |
| Molecular Weight: | 429.86 |
| Molecular Formula: | C22 H20 Cl N O6 |
| Smiles: | CC1=C(CC(=O)OC)C(=O)Oc2cc(ccc12)OCC(Nc1cc(ccc1C)[Cl])=O |
| Stereo: | ACHIRAL |
| logP: | 3.4011 |
| logD: | 3.4008 |
| logSw: | -3.8037 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 71.418 |
| InChI Key: | QLEJCKJAWSYWRH-UHFFFAOYSA-N |