methyl 2-(3-methoxyanilino)-4-oxo-5-[(2,3,4-trimethoxyphenyl)methylidene]-4,5-dihydrothiophene-3-carboxylate
Chemical Structure Depiction of
methyl 2-(3-methoxyanilino)-4-oxo-5-[(2,3,4-trimethoxyphenyl)methylidene]-4,5-dihydrothiophene-3-carboxylate
methyl 2-(3-methoxyanilino)-4-oxo-5-[(2,3,4-trimethoxyphenyl)methylidene]-4,5-dihydrothiophene-3-carboxylate
Compound characteristics
| Compound ID: | V021-9240 |
| Compound Name: | methyl 2-(3-methoxyanilino)-4-oxo-5-[(2,3,4-trimethoxyphenyl)methylidene]-4,5-dihydrothiophene-3-carboxylate |
| Molecular Weight: | 457.5 |
| Molecular Formula: | C23 H23 N O7 S |
| Smiles: | COC(C1=C(Nc2cccc(c2)OC)SC(=C\c2ccc(c(c2OC)OC)OC)\C1=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.4466 |
| logD: | 4.3473 |
| logSw: | -4.4572 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 73.146 |
| InChI Key: | MYHQRFVOAVVOFX-UHFFFAOYSA-N |