ethyl 3-(4,8-dimethyl-2-oxo-7-{2-oxo-2-[4-(pyrrolidin-1-yl)phenyl]ethoxy}-2H-1-benzopyran-3-yl)propanoate
Chemical Structure Depiction of
ethyl 3-(4,8-dimethyl-2-oxo-7-{2-oxo-2-[4-(pyrrolidin-1-yl)phenyl]ethoxy}-2H-1-benzopyran-3-yl)propanoate
ethyl 3-(4,8-dimethyl-2-oxo-7-{2-oxo-2-[4-(pyrrolidin-1-yl)phenyl]ethoxy}-2H-1-benzopyran-3-yl)propanoate
Compound characteristics
| Compound ID: | Y041-2015 |
| Compound Name: | ethyl 3-(4,8-dimethyl-2-oxo-7-{2-oxo-2-[4-(pyrrolidin-1-yl)phenyl]ethoxy}-2H-1-benzopyran-3-yl)propanoate |
| Molecular Weight: | 477.56 |
| Molecular Formula: | C28 H31 N O6 |
| Smiles: | CCOC(CCC1=C(C)c2ccc(c(C)c2OC1=O)OCC(c1ccc(cc1)N1CCCC1)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 5.127 |
| logD: | 5.127 |
| logSw: | -4.9205 |
| Hydrogen bond acceptors count: | 9 |
| Polar surface area: | 65.383 |
| InChI Key: | IQBQGUXGKNBLJM-UHFFFAOYSA-N |