methyl 4-{2-[2-(4-methoxyphenyl)ethyl]-7-methyl-3,9-dioxo-1,2,3,9-tetrahydro[1]benzopyrano[2,3-c]pyrrol-1-yl}benzoate
Chemical Structure Depiction of
methyl 4-{2-[2-(4-methoxyphenyl)ethyl]-7-methyl-3,9-dioxo-1,2,3,9-tetrahydro[1]benzopyrano[2,3-c]pyrrol-1-yl}benzoate
methyl 4-{2-[2-(4-methoxyphenyl)ethyl]-7-methyl-3,9-dioxo-1,2,3,9-tetrahydro[1]benzopyrano[2,3-c]pyrrol-1-yl}benzoate
Compound characteristics
| Compound ID: | Y070-3795 |
| Compound Name: | methyl 4-{2-[2-(4-methoxyphenyl)ethyl]-7-methyl-3,9-dioxo-1,2,3,9-tetrahydro[1]benzopyrano[2,3-c]pyrrol-1-yl}benzoate |
| Molecular Weight: | 483.52 |
| Molecular Formula: | C29 H25 N O6 |
| Smiles: | Cc1ccc2c(c1)C(C1C(c3ccc(cc3)C(=O)OC)N(CCc3ccc(cc3)OC)C(C=1O2)=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 5.2218 |
| logD: | 5.2218 |
| logSw: | -5.0975 |
| Hydrogen bond acceptors count: | 9 |
| Polar surface area: | 65.429 |
| InChI Key: | PKVPDLCOZFTHOI-RUZDIDTESA-N |