N-(2-chloro-4-fluorophenyl)-5-methyl-4-oxo-3-{2-oxo-2-[3-(trifluoromethyl)anilino]ethyl}-3,4-dihydrothieno[2,3-d]pyrimidine-6-carboxamide
Chemical Structure Depiction of
N-(2-chloro-4-fluorophenyl)-5-methyl-4-oxo-3-{2-oxo-2-[3-(trifluoromethyl)anilino]ethyl}-3,4-dihydrothieno[2,3-d]pyrimidine-6-carboxamide
N-(2-chloro-4-fluorophenyl)-5-methyl-4-oxo-3-{2-oxo-2-[3-(trifluoromethyl)anilino]ethyl}-3,4-dihydrothieno[2,3-d]pyrimidine-6-carboxamide
Compound characteristics
Compound ID: | K892-0148 |
Compound Name: | N-(2-chloro-4-fluorophenyl)-5-methyl-4-oxo-3-{2-oxo-2-[3-(trifluoromethyl)anilino]ethyl}-3,4-dihydrothieno[2,3-d]pyrimidine-6-carboxamide |
Molecular Weight: | 538.91 |
Molecular Formula: | C23 H15 Cl F4 N4 O3 S |
Smiles: | Cc1c2C(N(CC(Nc3cccc(c3)C(F)(F)F)=O)C=Nc2sc1C(Nc1ccc(cc1[Cl])F)=O)=O |
Stereo: | ACHIRAL |
logP: | 4.8773 |
logD: | 3.8542 |
logSw: | -5.1218 |
Hydrogen bond acceptors count: | 7 |
Hydrogen bond donors count: | 2 |
Polar surface area: | 71.784 |
InChI Key: | DZSGHYBSAAKHCC-UHFFFAOYSA-N |