methyl 5-[(4-hydroxyphenyl)methylidene]-2-(4-methylanilino)-4-oxo-4,5-dihydrothiophene-3-carboxylate
Chemical Structure Depiction of
methyl 5-[(4-hydroxyphenyl)methylidene]-2-(4-methylanilino)-4-oxo-4,5-dihydrothiophene-3-carboxylate
methyl 5-[(4-hydroxyphenyl)methylidene]-2-(4-methylanilino)-4-oxo-4,5-dihydrothiophene-3-carboxylate
Compound characteristics
| Compound ID: | V002-1069 |
| Compound Name: | methyl 5-[(4-hydroxyphenyl)methylidene]-2-(4-methylanilino)-4-oxo-4,5-dihydrothiophene-3-carboxylate |
| Molecular Weight: | 367.42 |
| Molecular Formula: | C20 H17 N O4 S |
| Salt: | not_available |
| Smiles: | Cc1ccc(cc1)NC1=C(C(/C(=C\c2ccc(cc2)O)S1)=O)C(=O)OC |
| Stereo: | ACHIRAL |
| logP: | 4.2138 |
| logD: | 4.1986 |
| logSw: | -4.2893 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 60.154 |
| InChI Key: | XQPYCOPWWWLHQK-LFIBNONCSA-N |