2-{(E)-[(6-bromo-2H-1,3-benzodioxol-5-yl)methylidene]amino}-3a,4,7,7a-tetrahydro-1H-4,7-ethanoisoindole-1,3(2H)-dione
Chemical Structure Depiction of
2-{(E)-[(6-bromo-2H-1,3-benzodioxol-5-yl)methylidene]amino}-3a,4,7,7a-tetrahydro-1H-4,7-ethanoisoindole-1,3(2H)-dione
2-{(E)-[(6-bromo-2H-1,3-benzodioxol-5-yl)methylidene]amino}-3a,4,7,7a-tetrahydro-1H-4,7-ethanoisoindole-1,3(2H)-dione
Compound characteristics
| Compound ID: | 8006-5612 |
| Compound Name: | 2-{(E)-[(6-bromo-2H-1,3-benzodioxol-5-yl)methylidene]amino}-3a,4,7,7a-tetrahydro-1H-4,7-ethanoisoindole-1,3(2H)-dione |
| Molecular Weight: | 403.23 |
| Molecular Formula: | C18 H15 Br N2 O4 |
| Smiles: | C1CC2C=CC1C1C2C(N(C1=O)/N=C/c1cc2c(cc1[Br])OCO2)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 2.3934 |
| logD: | 2.3934 |
| logSw: | -2.5765 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 57.135 |
| InChI Key: | RUFGSPYMQCBMRA-UHFFFAOYSA-N |