methyl {7-[2-(3-chloro-4-methoxyanilino)-2-oxoethoxy]-4,8-dimethyl-2-oxo-2H-1-benzopyran-3-yl}acetate
Chemical Structure Depiction of
methyl {7-[2-(3-chloro-4-methoxyanilino)-2-oxoethoxy]-4,8-dimethyl-2-oxo-2H-1-benzopyran-3-yl}acetate
methyl {7-[2-(3-chloro-4-methoxyanilino)-2-oxoethoxy]-4,8-dimethyl-2-oxo-2H-1-benzopyran-3-yl}acetate
Compound characteristics
| Compound ID: | Y040-8211 |
| Compound Name: | methyl {7-[2-(3-chloro-4-methoxyanilino)-2-oxoethoxy]-4,8-dimethyl-2-oxo-2H-1-benzopyran-3-yl}acetate |
| Molecular Weight: | 459.88 |
| Molecular Formula: | C23 H22 Cl N O7 |
| Smiles: | CC1=C(CC(=O)OC)C(=O)Oc2c1ccc(c2C)OCC(Nc1ccc(c(c1)[Cl])OC)=O |
| Stereo: | ACHIRAL |
| logP: | 4.0297 |
| logD: | 4.0293 |
| logSw: | -4.4021 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 79.517 |
| InChI Key: | YDTLYOXTBZEILZ-UHFFFAOYSA-N |