2-[(2H-1,3-benzodioxol-5-yl)methyl]-1-(3-bromo-4-hydroxy-5-methoxyphenyl)-7-chloro-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-chloro-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-chloro-1,2-dihydro[1]benzopyrano[2,3-c]pyrrole-3,9-dione
Compound characteristics
| Compound ID: | 6959-0848 |
| Compound Name: | 2-[(2H-1,3-benzodioxol-5-yl)methyl]-1-(3-bromo-4-hydroxy-5-methoxyphenyl)-7-chloro-1,2-dihydro[1]benzopyrano[2,3-c]pyrrole-3,9-dione |
| Molecular Weight: | 570.78 |
| Molecular Formula: | C26 H17 Br Cl N O7 |
| Smiles: | COc1cc(cc(c1O)[Br])C1C2=C(C(N1Cc1ccc3c(c1)OCO3)=O)Oc1ccc(cc1C2=O)[Cl] |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.7667 |
| logD: | 4.7256 |
| logSw: | -4.6385 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 76.958 |
| InChI Key: | BAAMQEJBIBBIRF-JOCHJYFZSA-N |