methyl N-(5-methyl-4-oxo-3-{2-oxo-2-[3-(trifluoromethyl)anilino]ethyl}-3,4-dihydrothieno[2,3-d]pyrimidine-6-carbonyl)glycinate
Chemical Structure Depiction of
methyl N-(5-methyl-4-oxo-3-{2-oxo-2-[3-(trifluoromethyl)anilino]ethyl}-3,4-dihydrothieno[2,3-d]pyrimidine-6-carbonyl)glycinate
methyl N-(5-methyl-4-oxo-3-{2-oxo-2-[3-(trifluoromethyl)anilino]ethyl}-3,4-dihydrothieno[2,3-d]pyrimidine-6-carbonyl)glycinate
Compound characteristics
| Compound ID: | K892-0227 |
| Compound Name: | methyl N-(5-methyl-4-oxo-3-{2-oxo-2-[3-(trifluoromethyl)anilino]ethyl}-3,4-dihydrothieno[2,3-d]pyrimidine-6-carbonyl)glycinate |
| Molecular Weight: | 482.44 |
| Molecular Formula: | C20 H17 F3 N4 O5 S |
| Smiles: | Cc1c2C(N(CC(Nc3cccc(c3)C(F)(F)F)=O)C=Nc2sc1C(NCC(=O)OC)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.3405 |
| logD: | 2.3402 |
| logSw: | -3.0334 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 94.654 |
| InChI Key: | XLSUIZFNMDLLGF-UHFFFAOYSA-N |