ethyl 3-[2-(3-chloro-4-fluoroanilino)-2-oxoethyl]-2,5-dimethyl-4-oxo-3,4-dihydrothieno[2,3-d]pyrimidine-6-carboxylate
Chemical Structure Depiction of
ethyl 3-[2-(3-chloro-4-fluoroanilino)-2-oxoethyl]-2,5-dimethyl-4-oxo-3,4-dihydrothieno[2,3-d]pyrimidine-6-carboxylate
ethyl 3-[2-(3-chloro-4-fluoroanilino)-2-oxoethyl]-2,5-dimethyl-4-oxo-3,4-dihydrothieno[2,3-d]pyrimidine-6-carboxylate
Compound characteristics
| Compound ID: | 3909-7630 |
| Compound Name: | ethyl 3-[2-(3-chloro-4-fluoroanilino)-2-oxoethyl]-2,5-dimethyl-4-oxo-3,4-dihydrothieno[2,3-d]pyrimidine-6-carboxylate |
| Molecular Weight: | 437.88 |
| Molecular Formula: | C19 H17 Cl F N3 O4 S |
| Smiles: | CCOC(c1c(C)c2C(N(CC(Nc3ccc(c(c3)[Cl])F)=O)C(C)=Nc2s1)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.688 |
| logD: | 3.6791 |
| logSw: | -4.4241 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 68.191 |
| InChI Key: | JXYYVLLDVTYFKX-UHFFFAOYSA-N |