4,8-dibromo-2,6-bis(2-hydroxyethyl)pyrrolo[3,4-f]isoindole-1,3,5,7(2H,6H)-tetrone
Chemical Structure Depiction of
4,8-dibromo-2,6-bis(2-hydroxyethyl)pyrrolo[3,4-f]isoindole-1,3,5,7(2H,6H)-tetrone
4,8-dibromo-2,6-bis(2-hydroxyethyl)pyrrolo[3,4-f]isoindole-1,3,5,7(2H,6H)-tetrone
Compound characteristics
| Compound ID: | 2922-0947 |
| Compound Name: | 4,8-dibromo-2,6-bis(2-hydroxyethyl)pyrrolo[3,4-f]isoindole-1,3,5,7(2H,6H)-tetrone |
| Molecular Weight: | 462.05 |
| Molecular Formula: | C14 H10 Br2 N2 O6 |
| Smiles: | C(CO)N1C(c2c(C1=O)c(c1C(N(CCO)C(c1c2[Br])=O)=O)[Br])=O |
| Stereo: | ACHIRAL |
| logP: | -0.6122 |
| logD: | -0.6122 |
| logSw: | 0.2883 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 92.555 |
| InChI Key: | HKZPWSSIZFFYRV-UHFFFAOYSA-N |