2-[(2H-1,3-benzodioxol-5-yl)methyl]-7-bromo-1-(3-ethoxy-4-hydroxyphenyl)-1,2-dihydro[1]benzopyrano[2,3-c]pyrrole-3,9-dione
Chemical Structure Depiction of
2-[(2H-1,3-benzodioxol-5-yl)methyl]-7-bromo-1-(3-ethoxy-4-hydroxyphenyl)-1,2-dihydro[1]benzopyrano[2,3-c]pyrrole-3,9-dione
2-[(2H-1,3-benzodioxol-5-yl)methyl]-7-bromo-1-(3-ethoxy-4-hydroxyphenyl)-1,2-dihydro[1]benzopyrano[2,3-c]pyrrole-3,9-dione
Compound characteristics
| Compound ID: | 6959-1448 |
| Compound Name: | 2-[(2H-1,3-benzodioxol-5-yl)methyl]-7-bromo-1-(3-ethoxy-4-hydroxyphenyl)-1,2-dihydro[1]benzopyrano[2,3-c]pyrrole-3,9-dione |
| Molecular Weight: | 550.36 |
| Molecular Formula: | C27 H20 Br N O7 |
| Smiles: | CCOc1cc(ccc1O)C1C2=C(C(N1Cc1ccc3c(c1)OCO3)=O)Oc1ccc(cc1C2=O)[Br] |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.7864 |
| logD: | 4.7851 |
| logSw: | -4.2102 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 77.607 |
| InChI Key: | SFKMGQSLNPKVDL-XMMPIXPASA-N |