methyl (4,7-dimethyl-2-oxo-5-{2-oxo-2-[4-(pyrrolidin-1-yl)phenyl]ethoxy}-2H-1-benzopyran-3-yl)acetate
Chemical Structure Depiction of
methyl (4,7-dimethyl-2-oxo-5-{2-oxo-2-[4-(pyrrolidin-1-yl)phenyl]ethoxy}-2H-1-benzopyran-3-yl)acetate
methyl (4,7-dimethyl-2-oxo-5-{2-oxo-2-[4-(pyrrolidin-1-yl)phenyl]ethoxy}-2H-1-benzopyran-3-yl)acetate
Compound characteristics
Compound ID: | Y040-3453 |
Compound Name: | methyl (4,7-dimethyl-2-oxo-5-{2-oxo-2-[4-(pyrrolidin-1-yl)phenyl]ethoxy}-2H-1-benzopyran-3-yl)acetate |
Molecular Weight: | 449.5 |
Molecular Formula: | C26 H27 N O6 |
Smiles: | CC1=C(CC(=O)OC)C(=O)Oc2cc(C)cc(c12)OCC(c1ccc(cc1)N1CCCC1)=O |
Stereo: | ACHIRAL |
logP: | 4.4273 |
logD: | 4.4273 |
logSw: | -4.6682 |
Hydrogen bond acceptors count: | 9 |
Polar surface area: | 66.119 |
InChI Key: | LSLCXZZXRLDHGB-UHFFFAOYSA-N |