3-[(2-chlorophenyl)methyl]-N-(5-fluoro-2-methylphenyl)-5-methyl-4-oxo-3,4-dihydrothieno[2,3-d]pyrimidine-6-carboxamide
Chemical Structure Depiction of
3-[(2-chlorophenyl)methyl]-N-(5-fluoro-2-methylphenyl)-5-methyl-4-oxo-3,4-dihydrothieno[2,3-d]pyrimidine-6-carboxamide
3-[(2-chlorophenyl)methyl]-N-(5-fluoro-2-methylphenyl)-5-methyl-4-oxo-3,4-dihydrothieno[2,3-d]pyrimidine-6-carboxamide
Compound characteristics
| Compound ID: | K821-0446 |
| Compound Name: | 3-[(2-chlorophenyl)methyl]-N-(5-fluoro-2-methylphenyl)-5-methyl-4-oxo-3,4-dihydrothieno[2,3-d]pyrimidine-6-carboxamide |
| Molecular Weight: | 441.91 |
| Molecular Formula: | C22 H17 Cl F N3 O2 S |
| Smiles: | Cc1ccc(cc1NC(c1c(C)c2C(N(Cc3ccccc3[Cl])C=Nc2s1)=O)=O)F |
| Stereo: | ACHIRAL |
| logP: | 4.3784 |
| logD: | 4.278 |
| logSw: | -4.6195 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 48.635 |
| InChI Key: | YYIBEWSJARFTCL-UHFFFAOYSA-N |