methyl (4-methyl-2-oxo-7-{2-oxo-2-[4-(pyrrolidin-1-yl)phenyl]ethoxy}-2H-1-benzopyran-3-yl)acetate
Chemical Structure Depiction of
methyl (4-methyl-2-oxo-7-{2-oxo-2-[4-(pyrrolidin-1-yl)phenyl]ethoxy}-2H-1-benzopyran-3-yl)acetate
methyl (4-methyl-2-oxo-7-{2-oxo-2-[4-(pyrrolidin-1-yl)phenyl]ethoxy}-2H-1-benzopyran-3-yl)acetate
Compound characteristics
| Compound ID: | Y040-2584 |
| Compound Name: | methyl (4-methyl-2-oxo-7-{2-oxo-2-[4-(pyrrolidin-1-yl)phenyl]ethoxy}-2H-1-benzopyran-3-yl)acetate |
| Molecular Weight: | 435.48 |
| Molecular Formula: | C25 H25 N O6 |
| Smiles: | CC1=C(CC(=O)OC)C(=O)Oc2cc(ccc12)OCC(c1ccc(cc1)N1CCCC1)=O |
| Stereo: | ACHIRAL |
| logP: | 3.6636 |
| logD: | 3.6636 |
| logSw: | -3.9592 |
| Hydrogen bond acceptors count: | 9 |
| Polar surface area: | 66.032 |
| InChI Key: | ZKFPZVNRPUPZRR-UHFFFAOYSA-N |