2-[(3,3-dimethyl-2-oxobutyl)sulfanyl]-5-methyl-4-oxo-3-(2-phenylethyl)-N-[2-(trifluoromethyl)phenyl]-3,4-dihydrothieno[2,3-d]pyrimidine-6-carboxamide
Chemical Structure Depiction of
2-[(3,3-dimethyl-2-oxobutyl)sulfanyl]-5-methyl-4-oxo-3-(2-phenylethyl)-N-[2-(trifluoromethyl)phenyl]-3,4-dihydrothieno[2,3-d]pyrimidine-6-carboxamide
2-[(3,3-dimethyl-2-oxobutyl)sulfanyl]-5-methyl-4-oxo-3-(2-phenylethyl)-N-[2-(trifluoromethyl)phenyl]-3,4-dihydrothieno[2,3-d]pyrimidine-6-carboxamide
Compound characteristics
| Compound ID: | A0016975 |
| Compound Name: | 2-[(3,3-dimethyl-2-oxobutyl)sulfanyl]-5-methyl-4-oxo-3-(2-phenylethyl)-N-[2-(trifluoromethyl)phenyl]-3,4-dihydrothieno[2,3-d]pyrimidine-6-carboxamide |
| Molecular Weight: | 587.68 |
| Molecular Formula: | C29 H28 F3 N3 O3 S2 |
| Smiles: | Cc1c2C(N(CCc3ccccc3)C(=Nc2sc1C(Nc1ccccc1C(F)(F)F)=O)SCC(C(C)(C)C)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 6.5471 |
| logD: | 6.5456 |
| logSw: | -5.7827 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 61.564 |
| InChI Key: | XPISJEAYDCSJRO-UHFFFAOYSA-N |