methyl 5-[(3,4-dihydroxyphenyl)methylidene]-2-(4-methylanilino)-4-oxo-4,5-dihydrothiophene-3-carboxylate
Chemical Structure Depiction of
methyl 5-[(3,4-dihydroxyphenyl)methylidene]-2-(4-methylanilino)-4-oxo-4,5-dihydrothiophene-3-carboxylate
methyl 5-[(3,4-dihydroxyphenyl)methylidene]-2-(4-methylanilino)-4-oxo-4,5-dihydrothiophene-3-carboxylate
Compound characteristics
| Compound ID: | V012-0088 |
| Compound Name: | methyl 5-[(3,4-dihydroxyphenyl)methylidene]-2-(4-methylanilino)-4-oxo-4,5-dihydrothiophene-3-carboxylate |
| Molecular Weight: | 383.42 |
| Molecular Formula: | C20 H17 N O5 S |
| Salt: | not_available |
| Smiles: | Cc1ccc(cc1)NC1=C(C(/C(=C\c2ccc(c(c2)O)O)S1)=O)C(=O)OC |
| Stereo: | ACHIRAL |
| logP: | 3.723 |
| logD: | 3.7078 |
| logSw: | -3.5752 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 75.633 |
| InChI Key: | NLBCXLHUFCYORG-MHWRWJLKSA-N |