methyl 4-[2-(4-bromo-2-fluoroanilino)-2-oxoethyl]-2-methyl-4H-thieno[3,2-b]pyrrole-5-carboxylate
Chemical Structure Depiction of
methyl 4-[2-(4-bromo-2-fluoroanilino)-2-oxoethyl]-2-methyl-4H-thieno[3,2-b]pyrrole-5-carboxylate
methyl 4-[2-(4-bromo-2-fluoroanilino)-2-oxoethyl]-2-methyl-4H-thieno[3,2-b]pyrrole-5-carboxylate
Compound characteristics
| Compound ID: | C777-0813 |
| Compound Name: | methyl 4-[2-(4-bromo-2-fluoroanilino)-2-oxoethyl]-2-methyl-4H-thieno[3,2-b]pyrrole-5-carboxylate |
| Molecular Weight: | 425.27 |
| Molecular Formula: | C17 H14 Br F N2 O3 S |
| Smiles: | Cc1cc2c(cc(C(=O)OC)n2CC(Nc2ccc(cc2F)[Br])=O)s1 |
| Stereo: | ACHIRAL |
| logP: | 4.4268 |
| logD: | 4.4071 |
| logSw: | -4.3364 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 45.336 |
| InChI Key: | BCAIWPILQPIWNL-UHFFFAOYSA-N |