N-[4-(4-chlorophenoxy)phenyl]-3-[(2-fluorophenyl)methyl]-5-methyl-4-oxo-3,4-dihydrothieno[2,3-d]pyrimidine-6-carboxamide
Chemical Structure Depiction of
N-[4-(4-chlorophenoxy)phenyl]-3-[(2-fluorophenyl)methyl]-5-methyl-4-oxo-3,4-dihydrothieno[2,3-d]pyrimidine-6-carboxamide
N-[4-(4-chlorophenoxy)phenyl]-3-[(2-fluorophenyl)methyl]-5-methyl-4-oxo-3,4-dihydrothieno[2,3-d]pyrimidine-6-carboxamide
Compound characteristics
| Compound ID: | K821-0317 |
| Compound Name: | N-[4-(4-chlorophenoxy)phenyl]-3-[(2-fluorophenyl)methyl]-5-methyl-4-oxo-3,4-dihydrothieno[2,3-d]pyrimidine-6-carboxamide |
| Molecular Weight: | 519.98 |
| Molecular Formula: | C27 H19 Cl F N3 O3 S |
| Smiles: | Cc1c2C(N(Cc3ccccc3F)C=Nc2sc1C(Nc1ccc(cc1)Oc1ccc(cc1)[Cl])=O)=O |
| Stereo: | ACHIRAL |
| logP: | 6.2277 |
| logD: | 6.2265 |
| logSw: | -6.2787 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 56.08 |
| InChI Key: | AUBNMKRREFCCAM-UHFFFAOYSA-N |