1-(5-methyl-4-oxo-3-{2-oxo-2-[3-(trifluoromethyl)anilino]ethyl}-3,4-dihydrothieno[2,3-d]pyrimidine-6-carbonyl)piperidine-4-carboxamide
Chemical Structure Depiction of
1-(5-methyl-4-oxo-3-{2-oxo-2-[3-(trifluoromethyl)anilino]ethyl}-3,4-dihydrothieno[2,3-d]pyrimidine-6-carbonyl)piperidine-4-carboxamide
1-(5-methyl-4-oxo-3-{2-oxo-2-[3-(trifluoromethyl)anilino]ethyl}-3,4-dihydrothieno[2,3-d]pyrimidine-6-carbonyl)piperidine-4-carboxamide
Compound characteristics
| Compound ID: | K892-0204 |
| Compound Name: | 1-(5-methyl-4-oxo-3-{2-oxo-2-[3-(trifluoromethyl)anilino]ethyl}-3,4-dihydrothieno[2,3-d]pyrimidine-6-carbonyl)piperidine-4-carboxamide |
| Molecular Weight: | 521.52 |
| Molecular Formula: | C23 H22 F3 N5 O4 S |
| Smiles: | Cc1c2C(N(CC(Nc3cccc(c3)C(F)(F)F)=O)C=Nc2sc1C(N1CCC(CC1)C(N)=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.0096 |
| logD: | 2.0092 |
| logSw: | -2.9001 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 100.098 |
| InChI Key: | SPKXBCANGZCVSZ-UHFFFAOYSA-N |