5-methyl-4-oxo-2-[(2-oxo-2-phenylethyl)sulfanyl]-3-(2-phenylethyl)-N-[2-(trifluoromethyl)phenyl]-3,4-dihydrothieno[2,3-d]pyrimidine-6-carboxamide
Chemical Structure Depiction of
5-methyl-4-oxo-2-[(2-oxo-2-phenylethyl)sulfanyl]-3-(2-phenylethyl)-N-[2-(trifluoromethyl)phenyl]-3,4-dihydrothieno[2,3-d]pyrimidine-6-carboxamide
5-methyl-4-oxo-2-[(2-oxo-2-phenylethyl)sulfanyl]-3-(2-phenylethyl)-N-[2-(trifluoromethyl)phenyl]-3,4-dihydrothieno[2,3-d]pyrimidine-6-carboxamide
Compound characteristics
| Compound ID: | A0016995 |
| Compound Name: | 5-methyl-4-oxo-2-[(2-oxo-2-phenylethyl)sulfanyl]-3-(2-phenylethyl)-N-[2-(trifluoromethyl)phenyl]-3,4-dihydrothieno[2,3-d]pyrimidine-6-carboxamide |
| Molecular Weight: | 607.67 |
| Molecular Formula: | C31 H24 F3 N3 O3 S2 |
| Smiles: | Cc1c2C(N(CCc3ccccc3)C(=Nc2sc1C(Nc1ccccc1C(F)(F)F)=O)SCC(c1ccccc1)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 6.441 |
| logD: | 6.4395 |
| logSw: | -5.8168 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 61.292 |
| InChI Key: | UZXXGSZSTCCNCU-UHFFFAOYSA-N |