2-[(2H-1,3-benzodioxol-5-yl)methyl]-1-(3-bromo-4-hydroxy-5-methoxyphenyl)-7-methyl-1,2-dihydro[1]benzopyrano[2,3-c]pyrrole-3,9-dione
Chemical Structure Depiction of
2-[(2H-1,3-benzodioxol-5-yl)methyl]-1-(3-bromo-4-hydroxy-5-methoxyphenyl)-7-methyl-1,2-dihydro[1]benzopyrano[2,3-c]pyrrole-3,9-dione
2-[(2H-1,3-benzodioxol-5-yl)methyl]-1-(3-bromo-4-hydroxy-5-methoxyphenyl)-7-methyl-1,2-dihydro[1]benzopyrano[2,3-c]pyrrole-3,9-dione
Compound characteristics
| Compound ID: | 6959-0512 |
| Compound Name: | 2-[(2H-1,3-benzodioxol-5-yl)methyl]-1-(3-bromo-4-hydroxy-5-methoxyphenyl)-7-methyl-1,2-dihydro[1]benzopyrano[2,3-c]pyrrole-3,9-dione |
| Molecular Weight: | 550.36 |
| Molecular Formula: | C27 H20 Br N O7 |
| Smiles: | Cc1ccc2c(c1)C(C1C(c3cc(c(c(c3)[Br])O)OC)N(Cc3ccc4c(c3)OCO4)C(C=1O2)=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.4924 |
| logD: | 4.4512 |
| logSw: | -4.2819 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 76.958 |
| InChI Key: | ITNRHVNAITWVLZ-HSZRJFAPSA-N |