N-(3-chloro-4-fluorophenyl)-3-[(2-fluorophenyl)methyl]-5-methyl-4-oxo-3,4-dihydrothieno[2,3-d]pyrimidine-6-carboxamide
Chemical Structure Depiction of
N-(3-chloro-4-fluorophenyl)-3-[(2-fluorophenyl)methyl]-5-methyl-4-oxo-3,4-dihydrothieno[2,3-d]pyrimidine-6-carboxamide
N-(3-chloro-4-fluorophenyl)-3-[(2-fluorophenyl)methyl]-5-methyl-4-oxo-3,4-dihydrothieno[2,3-d]pyrimidine-6-carboxamide
Compound characteristics
| Compound ID: | K821-0309 |
| Compound Name: | N-(3-chloro-4-fluorophenyl)-3-[(2-fluorophenyl)methyl]-5-methyl-4-oxo-3,4-dihydrothieno[2,3-d]pyrimidine-6-carboxamide |
| Molecular Weight: | 445.87 |
| Molecular Formula: | C21 H14 Cl F2 N3 O2 S |
| Smiles: | Cc1c2C(N(Cc3ccccc3F)C=Nc2sc1C(Nc1ccc(c(c1)[Cl])F)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.6445 |
| logD: | 3.627 |
| logSw: | -4.9858 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 49.332 |
| InChI Key: | XQSJGPUTKAGPKJ-UHFFFAOYSA-N |