ethyl 5-[(9-ethyl-9H-carbazol-3-yl)methylidene]-2-(4-nitroanilino)-4-oxo-4,5-dihydrothiophene-3-carboxylate
Chemical Structure Depiction of
ethyl 5-[(9-ethyl-9H-carbazol-3-yl)methylidene]-2-(4-nitroanilino)-4-oxo-4,5-dihydrothiophene-3-carboxylate
ethyl 5-[(9-ethyl-9H-carbazol-3-yl)methylidene]-2-(4-nitroanilino)-4-oxo-4,5-dihydrothiophene-3-carboxylate
Compound characteristics
| Compound ID: | 4923-3296 |
| Compound Name: | ethyl 5-[(9-ethyl-9H-carbazol-3-yl)methylidene]-2-(4-nitroanilino)-4-oxo-4,5-dihydrothiophene-3-carboxylate |
| Molecular Weight: | 513.57 |
| Molecular Formula: | C28 H23 N3 O5 S |
| Smiles: | CCn1c2ccccc2c2cc(/C=C3/C(C(=C(Nc4ccc(cc4)[N+]([O-])=O)S3)C(=O)OCC)=O)ccc12 |
| Stereo: | ACHIRAL |
| logP: | 7.1265 |
| logD: | 5.7454 |
| logSw: | -5.9052 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 76.199 |
| InChI Key: | ZHTZOHGPJLMDDG-UHFFFAOYSA-N |