2-[(2H-1,3-benzodioxol-5-yl)methyl]-1-(3-bromo-4-hydroxy-5-methoxyphenyl)-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)-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)-1,2-dihydro[1]benzopyrano[2,3-c]pyrrole-3,9-dione
Compound characteristics
| Compound ID: | 6959-0176 |
| Compound Name: | 2-[(2H-1,3-benzodioxol-5-yl)methyl]-1-(3-bromo-4-hydroxy-5-methoxyphenyl)-1,2-dihydro[1]benzopyrano[2,3-c]pyrrole-3,9-dione |
| Molecular Weight: | 536.33 |
| Molecular Formula: | C26 H18 Br N O7 |
| Smiles: | COc1cc(cc(c1O)[Br])C1C2=C(C(N1Cc1ccc3c(c1)OCO3)=O)Oc1ccccc1C2=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.0842 |
| logD: | 4.043 |
| logSw: | -4.3052 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 76.958 |
| InChI Key: | XQCMRKHYPGQSQH-JOCHJYFZSA-N |