methyl 2-(4-nitroanilino)-4-oxo-5-[(2,3,4-trimethoxyphenyl)methylidene]-4,5-dihydrothiophene-3-carboxylate
Chemical Structure Depiction of
methyl 2-(4-nitroanilino)-4-oxo-5-[(2,3,4-trimethoxyphenyl)methylidene]-4,5-dihydrothiophene-3-carboxylate
methyl 2-(4-nitroanilino)-4-oxo-5-[(2,3,4-trimethoxyphenyl)methylidene]-4,5-dihydrothiophene-3-carboxylate
Compound characteristics
| Compound ID: | V022-9308 |
| Compound Name: | methyl 2-(4-nitroanilino)-4-oxo-5-[(2,3,4-trimethoxyphenyl)methylidene]-4,5-dihydrothiophene-3-carboxylate |
| Molecular Weight: | 472.47 |
| Molecular Formula: | C22 H20 N2 O8 S |
| Smiles: | COC(C1=C(Nc2ccc(cc2)[N+]([O-])=O)SC(=C\c2ccc(c(c2OC)OC)OC)\C1=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.3058 |
| logD: | 2.9248 |
| logSw: | -4.3923 |
| Hydrogen bond acceptors count: | 13 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 98.983 |
| InChI Key: | CJINFZNZZGDNSV-UHFFFAOYSA-N |