3-benzyl-5-methyl-4-oxo-2-[(2-oxo-2-phenylethyl)sulfanyl]-N-[2-(trifluoromethyl)phenyl]-3,4-dihydrothieno[2,3-d]pyrimidine-6-carboxamide
Chemical Structure Depiction of
3-benzyl-5-methyl-4-oxo-2-[(2-oxo-2-phenylethyl)sulfanyl]-N-[2-(trifluoromethyl)phenyl]-3,4-dihydrothieno[2,3-d]pyrimidine-6-carboxamide
3-benzyl-5-methyl-4-oxo-2-[(2-oxo-2-phenylethyl)sulfanyl]-N-[2-(trifluoromethyl)phenyl]-3,4-dihydrothieno[2,3-d]pyrimidine-6-carboxamide
Compound characteristics
| Compound ID: | A0016795 |
| Compound Name: | 3-benzyl-5-methyl-4-oxo-2-[(2-oxo-2-phenylethyl)sulfanyl]-N-[2-(trifluoromethyl)phenyl]-3,4-dihydrothieno[2,3-d]pyrimidine-6-carboxamide |
| Molecular Weight: | 593.65 |
| Molecular Formula: | C30 H22 F3 N3 O3 S2 |
| Smiles: | Cc1c2C(N(Cc3ccccc3)C(=Nc2sc1C(Nc1ccccc1C(F)(F)F)=O)SCC(c1ccccc1)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 6.3419 |
| logD: | 6.3404 |
| logSw: | -5.6587 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 61.314 |
| InChI Key: | VRPOQBRXJIAANV-UHFFFAOYSA-N |