2-[(2H-1,3-benzodioxol-5-yl)methyl]-7-chloro-1-(4-hydroxy-3-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]-7-chloro-1-(4-hydroxy-3-methoxyphenyl)-1,2-dihydro[1]benzopyrano[2,3-c]pyrrole-3,9-dione
2-[(2H-1,3-benzodioxol-5-yl)methyl]-7-chloro-1-(4-hydroxy-3-methoxyphenyl)-1,2-dihydro[1]benzopyrano[2,3-c]pyrrole-3,9-dione
Compound characteristics
| Compound ID: | 6959-0770 |
| Compound Name: | 2-[(2H-1,3-benzodioxol-5-yl)methyl]-7-chloro-1-(4-hydroxy-3-methoxyphenyl)-1,2-dihydro[1]benzopyrano[2,3-c]pyrrole-3,9-dione |
| Molecular Weight: | 491.88 |
| Molecular Formula: | C26 H18 Cl N O7 |
| Smiles: | COc1cc(ccc1O)C1C2=C(C(N1Cc1ccc3c(c1)OCO3)=O)Oc1ccc(cc1C2=O)[Cl] |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.071 |
| logD: | 4.0685 |
| logSw: | -4.4319 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 78.027 |
| InChI Key: | RQBLFSVAMWWEKX-HSZRJFAPSA-N |