ethyl 2-anilino-5-{[1-(2H-1,3-benzodioxol-5-yl)-2,5-dimethyl-1H-pyrrol-3-yl]methylidene}-4-oxo-4,5-dihydrothiophene-3-carboxylate
Chemical Structure Depiction of
ethyl 2-anilino-5-{[1-(2H-1,3-benzodioxol-5-yl)-2,5-dimethyl-1H-pyrrol-3-yl]methylidene}-4-oxo-4,5-dihydrothiophene-3-carboxylate
ethyl 2-anilino-5-{[1-(2H-1,3-benzodioxol-5-yl)-2,5-dimethyl-1H-pyrrol-3-yl]methylidene}-4-oxo-4,5-dihydrothiophene-3-carboxylate
Compound characteristics
| Compound ID: | 5648-3081 |
| Compound Name: | ethyl 2-anilino-5-{[1-(2H-1,3-benzodioxol-5-yl)-2,5-dimethyl-1H-pyrrol-3-yl]methylidene}-4-oxo-4,5-dihydrothiophene-3-carboxylate |
| Molecular Weight: | 488.56 |
| Molecular Formula: | C27 H24 N2 O5 S |
| Smiles: | CCOC(C1=C(Nc2ccccc2)SC(=C/c2cc(C)n(c3ccc4c(c3)OCO4)c2C)\C1=O)=O |
| Stereo: | ACHIRAL |
| logP: | 5.6367 |
| logD: | 5.6251 |
| logSw: | -5.4396 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 61.897 |
| InChI Key: | YFDKITUPDWYKTJ-UHFFFAOYSA-N |