3-benzyl-2-{[(3-chlorophenyl)methyl]sulfanyl}-5-methyl-4-oxo-N-[2-(trifluoromethyl)phenyl]-3,4-dihydrothieno[2,3-d]pyrimidine-6-carboxamide
Chemical Structure Depiction of
3-benzyl-2-{[(3-chlorophenyl)methyl]sulfanyl}-5-methyl-4-oxo-N-[2-(trifluoromethyl)phenyl]-3,4-dihydrothieno[2,3-d]pyrimidine-6-carboxamide
3-benzyl-2-{[(3-chlorophenyl)methyl]sulfanyl}-5-methyl-4-oxo-N-[2-(trifluoromethyl)phenyl]-3,4-dihydrothieno[2,3-d]pyrimidine-6-carboxamide
Compound characteristics
| Compound ID: | A0016835 |
| Compound Name: | 3-benzyl-2-{[(3-chlorophenyl)methyl]sulfanyl}-5-methyl-4-oxo-N-[2-(trifluoromethyl)phenyl]-3,4-dihydrothieno[2,3-d]pyrimidine-6-carboxamide |
| Molecular Weight: | 600.08 |
| Molecular Formula: | C29 H21 Cl F3 N3 O2 S2 |
| Smiles: | Cc1c2C(N(Cc3ccccc3)C(=Nc2sc1C(Nc1ccccc1C(F)(F)F)=O)SCc1cccc(c1)[Cl])=O |
| Stereo: | ACHIRAL |
| logP: | 7.5773 |
| logD: | 7.5758 |
| logSw: | -6.3962 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 48.067 |
| InChI Key: | XDYLHWNHXCSNMK-UHFFFAOYSA-N |