methyl 4-{2-[(2H-1,3-benzodioxol-5-yl)methyl]-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-[(2H-1,3-benzodioxol-5-yl)methyl]-7-methyl-3,9-dioxo-1,2,3,9-tetrahydro[1]benzopyrano[2,3-c]pyrrol-1-yl}benzoate
methyl 4-{2-[(2H-1,3-benzodioxol-5-yl)methyl]-7-methyl-3,9-dioxo-1,2,3,9-tetrahydro[1]benzopyrano[2,3-c]pyrrol-1-yl}benzoate
Compound characteristics
| Compound ID: | 6959-0530 |
| Compound Name: | methyl 4-{2-[(2H-1,3-benzodioxol-5-yl)methyl]-7-methyl-3,9-dioxo-1,2,3,9-tetrahydro[1]benzopyrano[2,3-c]pyrrol-1-yl}benzoate |
| Molecular Weight: | 483.48 |
| Molecular Formula: | C28 H21 N O7 |
| Smiles: | Cc1ccc2c(c1)C(C1C(c3ccc(cc3)C(=O)OC)N(Cc3ccc4c(c3)OCO4)C(C=1O2)=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.6417 |
| logD: | 4.6417 |
| logSw: | -4.5039 |
| Hydrogen bond acceptors count: | 10 |
| Polar surface area: | 75.022 |
| InChI Key: | YFLUHOZPQQLYNS-XMMPIXPASA-N |