methyl 4-[2-(3-chloro-4-fluoroanilino)-2-oxoethyl]-2-ethyl-4H-thieno[3,2-b]pyrrole-5-carboxylate
Chemical Structure Depiction of
methyl 4-[2-(3-chloro-4-fluoroanilino)-2-oxoethyl]-2-ethyl-4H-thieno[3,2-b]pyrrole-5-carboxylate
methyl 4-[2-(3-chloro-4-fluoroanilino)-2-oxoethyl]-2-ethyl-4H-thieno[3,2-b]pyrrole-5-carboxylate
Compound characteristics
| Compound ID: | C777-0879 |
| Compound Name: | methyl 4-[2-(3-chloro-4-fluoroanilino)-2-oxoethyl]-2-ethyl-4H-thieno[3,2-b]pyrrole-5-carboxylate |
| Molecular Weight: | 394.85 |
| Molecular Formula: | C18 H16 Cl F N2 O3 S |
| Smiles: | CCc1cc2c(cc(C(=O)OC)n2CC(Nc2ccc(c(c2)[Cl])F)=O)s1 |
| Stereo: | ACHIRAL |
| logP: | 4.7973 |
| logD: | 4.7779 |
| logSw: | -4.8939 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 46.034 |
| InChI Key: | FRLVVAIVVHUOJE-UHFFFAOYSA-N |