8-ethoxy-1,3-dimethyl-2-(3-nitrophenyl)cyclohepta[c]pyrrol-4(2H)-one
Chemical Structure Depiction of
8-ethoxy-1,3-dimethyl-2-(3-nitrophenyl)cyclohepta[c]pyrrol-4(2H)-one
8-ethoxy-1,3-dimethyl-2-(3-nitrophenyl)cyclohepta[c]pyrrol-4(2H)-one
Compound characteristics
| Compound ID: | 6557-0078 |
| Compound Name: | 8-ethoxy-1,3-dimethyl-2-(3-nitrophenyl)cyclohepta[c]pyrrol-4(2H)-one |
| Molecular Weight: | 338.36 |
| Molecular Formula: | C19 H18 N2 O4 |
| Smiles: | CCOC1=CC=CC(c2c1c(C)n(c1cccc(c1)[N+]([O-])=O)c2C)=O |
| Stereo: | ACHIRAL |
| logP: | 3.6202 |
| logD: | 3.6202 |
| logSw: | -3.9833 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 56.374 |
| InChI Key: | RVQVLLXHTJGAQF-UHFFFAOYSA-N |