1-butyl-5a,10,10-trihydroxy-4-(4-nitrophenyl)-5a,10-dihydro-1H-indeno[1',2':2,3]furo[3,4-b]pyrrole-2,3-dione
Chemical Structure Depiction of
1-butyl-5a,10,10-trihydroxy-4-(4-nitrophenyl)-5a,10-dihydro-1H-indeno[1',2':2,3]furo[3,4-b]pyrrole-2,3-dione
1-butyl-5a,10,10-trihydroxy-4-(4-nitrophenyl)-5a,10-dihydro-1H-indeno[1',2':2,3]furo[3,4-b]pyrrole-2,3-dione
Compound characteristics
| Compound ID: | 8016-2399 |
| Compound Name: | 1-butyl-5a,10,10-trihydroxy-4-(4-nitrophenyl)-5a,10-dihydro-1H-indeno[1',2':2,3]furo[3,4-b]pyrrole-2,3-dione |
| Molecular Weight: | 452.42 |
| Molecular Formula: | C23 H20 N2 O8 |
| Smiles: | CCCCN1C(C(C2=C(c3ccc(cc3)[N+]([O-])=O)OC3(c4ccccc4C(C123)(O)O)O)=O)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 2.8766 |
| logD: | 2.8766 |
| logSw: | -3.4611 |
| Hydrogen bond acceptors count: | 12 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 117.621 |
| InChI Key: | XATZOOSJXQMREC-UHFFFAOYSA-N |