ethyl 5-benzylidene-2-(2-methylanilino)-4-oxo-4,5-dihydrothiophene-3-carboxylate
Chemical Structure Depiction of
ethyl 5-benzylidene-2-(2-methylanilino)-4-oxo-4,5-dihydrothiophene-3-carboxylate
ethyl 5-benzylidene-2-(2-methylanilino)-4-oxo-4,5-dihydrothiophene-3-carboxylate
Compound characteristics
| Compound ID: | V022-2919 |
| Compound Name: | ethyl 5-benzylidene-2-(2-methylanilino)-4-oxo-4,5-dihydrothiophene-3-carboxylate |
| Molecular Weight: | 365.45 |
| Molecular Formula: | C21 H19 N O3 S |
| Smiles: | CCOC(C1=C(Nc2ccccc2C)SC(=C\c2ccccc2)\C1=O)=O |
| Stereo: | ACHIRAL |
| logP: | 5.041 |
| logD: | 5.0212 |
| logSw: | -4.5755 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 41.419 |
| InChI Key: | AQGQOVMVVZKVSS-UHFFFAOYSA-N |