N-(3-chloro-4-fluorophenyl)-5-methyl-4-[methyl(phenyl)amino]thieno[2,3-d]pyrimidine-6-carboxamide
Chemical Structure Depiction of
N-(3-chloro-4-fluorophenyl)-5-methyl-4-[methyl(phenyl)amino]thieno[2,3-d]pyrimidine-6-carboxamide
N-(3-chloro-4-fluorophenyl)-5-methyl-4-[methyl(phenyl)amino]thieno[2,3-d]pyrimidine-6-carboxamide
Compound characteristics
| Compound ID: | K895-0244 |
| Compound Name: | N-(3-chloro-4-fluorophenyl)-5-methyl-4-[methyl(phenyl)amino]thieno[2,3-d]pyrimidine-6-carboxamide |
| Molecular Weight: | 426.9 |
| Molecular Formula: | C21 H16 Cl F N4 O S |
| Smiles: | Cc1c2c(ncnc2sc1C(Nc1ccc(c(c1)[Cl])F)=O)N(C)c1ccccc1 |
| Stereo: | ACHIRAL |
| logP: | 5.3218 |
| logD: | 4.7719 |
| logSw: | -5.9482 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 46.35 |
| InChI Key: | XZYSHBQYGOULBQ-UHFFFAOYSA-N |