ethyl 4-(5-methyl-4-oxo-3-{2-oxo-2-[3-(trifluoromethyl)anilino]ethyl}-3,4-dihydrothieno[2,3-d]pyrimidine-6-carbonyl)piperazine-1-carboxylate
Chemical Structure Depiction of
ethyl 4-(5-methyl-4-oxo-3-{2-oxo-2-[3-(trifluoromethyl)anilino]ethyl}-3,4-dihydrothieno[2,3-d]pyrimidine-6-carbonyl)piperazine-1-carboxylate
ethyl 4-(5-methyl-4-oxo-3-{2-oxo-2-[3-(trifluoromethyl)anilino]ethyl}-3,4-dihydrothieno[2,3-d]pyrimidine-6-carbonyl)piperazine-1-carboxylate
Compound characteristics
| Compound ID: | K892-0202 |
| Compound Name: | ethyl 4-(5-methyl-4-oxo-3-{2-oxo-2-[3-(trifluoromethyl)anilino]ethyl}-3,4-dihydrothieno[2,3-d]pyrimidine-6-carbonyl)piperazine-1-carboxylate |
| Molecular Weight: | 551.54 |
| Molecular Formula: | C24 H24 F3 N5 O5 S |
| Smiles: | CCOC(N1CCN(CC1)C(c1c(C)c2C(N(CC(Nc3cccc(c3)C(F)(F)F)=O)C=Nc2s1)=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.1677 |
| logD: | 3.1674 |
| logSw: | -3.3291 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 88.819 |
| InChI Key: | BSGVHLFGECNLQV-UHFFFAOYSA-N |