methyl 5-benzylidene-2-(3,4-dimethoxyanilino)-4-oxo-4,5-dihydrothiophene-3-carboxylate
Chemical Structure Depiction of
methyl 5-benzylidene-2-(3,4-dimethoxyanilino)-4-oxo-4,5-dihydrothiophene-3-carboxylate
methyl 5-benzylidene-2-(3,4-dimethoxyanilino)-4-oxo-4,5-dihydrothiophene-3-carboxylate
Compound characteristics
| Compound ID: | V022-9221 |
| Compound Name: | methyl 5-benzylidene-2-(3,4-dimethoxyanilino)-4-oxo-4,5-dihydrothiophene-3-carboxylate |
| Molecular Weight: | 397.45 |
| Molecular Formula: | C21 H19 N O5 S |
| Smiles: | COC(C1=C(Nc2ccc(c(c2)OC)OC)SC(=C\c2ccccc2)\C1=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.9494 |
| logD: | 3.7614 |
| logSw: | -4.0669 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 57.798 |
| InChI Key: | MKHXDACLRHUMGO-GZTJUZNOSA-N |