methyl 2-(3-chloroanilino)-5-[(4-hydroxy-3-nitrophenyl)methylidene]-4-oxo-4,5-dihydrothiophene-3-carboxylate
Chemical Structure Depiction of
methyl 2-(3-chloroanilino)-5-[(4-hydroxy-3-nitrophenyl)methylidene]-4-oxo-4,5-dihydrothiophene-3-carboxylate
methyl 2-(3-chloroanilino)-5-[(4-hydroxy-3-nitrophenyl)methylidene]-4-oxo-4,5-dihydrothiophene-3-carboxylate
Compound characteristics
| Compound ID: | V021-9228 |
| Compound Name: | methyl 2-(3-chloroanilino)-5-[(4-hydroxy-3-nitrophenyl)methylidene]-4-oxo-4,5-dihydrothiophene-3-carboxylate |
| Molecular Weight: | 432.84 |
| Molecular Formula: | C19 H13 Cl N2 O6 S |
| Salt: | not_available |
| Smiles: | COC(C1=C(Nc2cccc(c2)[Cl])SC(=C\c2ccc(c(c2)[N+]([O-])=O)O)\C1=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.9652 |
| logD: | 4.1719 |
| logSw: | -4.9416 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 92.166 |
| InChI Key: | XXWIIXKPMZJFLQ-OVCLIPMQSA-N |