methyl 6-[2-(4-chloro-2-fluoroanilino)-2-oxoethyl]-6H-thieno[2,3-b]pyrrole-5-carboxylate
Chemical Structure Depiction of
methyl 6-[2-(4-chloro-2-fluoroanilino)-2-oxoethyl]-6H-thieno[2,3-b]pyrrole-5-carboxylate
methyl 6-[2-(4-chloro-2-fluoroanilino)-2-oxoethyl]-6H-thieno[2,3-b]pyrrole-5-carboxylate
Compound characteristics
| Compound ID: | C777-0720 |
| Compound Name: | methyl 6-[2-(4-chloro-2-fluoroanilino)-2-oxoethyl]-6H-thieno[2,3-b]pyrrole-5-carboxylate |
| Molecular Weight: | 366.8 |
| Molecular Formula: | C16 H12 Cl F N2 O3 S |
| Smiles: | COC(c1cc2ccsc2n1CC(Nc1ccc(cc1F)[Cl])=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.912 |
| logD: | 3.8923 |
| logSw: | -4.3305 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 45.171 |
| InChI Key: | PEGRZTJMUVQLIY-UHFFFAOYSA-N |