ethyl 3-[2-(4-bromo-2-fluoroanilino)-2-oxoethyl]-5-methyl-4-oxo-3,4-dihydrothieno[2,3-d]pyrimidine-6-carboxylate
Chemical Structure Depiction of
ethyl 3-[2-(4-bromo-2-fluoroanilino)-2-oxoethyl]-5-methyl-4-oxo-3,4-dihydrothieno[2,3-d]pyrimidine-6-carboxylate
ethyl 3-[2-(4-bromo-2-fluoroanilino)-2-oxoethyl]-5-methyl-4-oxo-3,4-dihydrothieno[2,3-d]pyrimidine-6-carboxylate
Compound characteristics
| Compound ID: | C066-1877 |
| Compound Name: | ethyl 3-[2-(4-bromo-2-fluoroanilino)-2-oxoethyl]-5-methyl-4-oxo-3,4-dihydrothieno[2,3-d]pyrimidine-6-carboxylate |
| Molecular Weight: | 468.3 |
| Molecular Formula: | C18 H15 Br F N3 O4 S |
| Smiles: | CCOC(c1c(C)c2C(N(CC(Nc3ccc(cc3F)[Br])=O)C=Nc2s1)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.241 |
| logD: | 3.235 |
| logSw: | -3.4691 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 69.446 |
| InChI Key: | JZQPRKDELSSUKF-UHFFFAOYSA-N |