2-(4-ethoxy-2-nitrophenyl)-3a,4,7,7a-tetrahydro-1H-4,7-ethanoisoindole-1,3(2H)-dione
Chemical Structure Depiction of
2-(4-ethoxy-2-nitrophenyl)-3a,4,7,7a-tetrahydro-1H-4,7-ethanoisoindole-1,3(2H)-dione
2-(4-ethoxy-2-nitrophenyl)-3a,4,7,7a-tetrahydro-1H-4,7-ethanoisoindole-1,3(2H)-dione
Compound characteristics
| Compound ID: | 2170-0039 |
| Compound Name: | 2-(4-ethoxy-2-nitrophenyl)-3a,4,7,7a-tetrahydro-1H-4,7-ethanoisoindole-1,3(2H)-dione |
| Molecular Weight: | 342.35 |
| Molecular Formula: | C18 H18 N2 O5 |
| Smiles: | CCOc1ccc(c(c1)[N+]([O-])=O)N1C(C2C3CCC(C=C3)C2C1=O)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 2.5095 |
| logD: | 2.5095 |
| logSw: | -2.6978 |
| Hydrogen bond acceptors count: | 9 |
| Polar surface area: | 68.896 |
| InChI Key: | NCYZJBUFZVRLLQ-UHFFFAOYSA-N |