3-benzyl-2-[(cyanomethyl)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-[(cyanomethyl)sulfanyl]-5-methyl-4-oxo-N-[2-(trifluoromethyl)phenyl]-3,4-dihydrothieno[2,3-d]pyrimidine-6-carboxamide
3-benzyl-2-[(cyanomethyl)sulfanyl]-5-methyl-4-oxo-N-[2-(trifluoromethyl)phenyl]-3,4-dihydrothieno[2,3-d]pyrimidine-6-carboxamide
Compound characteristics
| Compound ID: | A0016655 |
| Compound Name: | 3-benzyl-2-[(cyanomethyl)sulfanyl]-5-methyl-4-oxo-N-[2-(trifluoromethyl)phenyl]-3,4-dihydrothieno[2,3-d]pyrimidine-6-carboxamide |
| Molecular Weight: | 514.55 |
| Molecular Formula: | C24 H17 F3 N4 O2 S2 |
| Smiles: | Cc1c2C(N(Cc3ccccc3)C(=Nc2sc1C(Nc1ccccc1C(F)(F)F)=O)SCC#N)=O |
| Stereo: | ACHIRAL |
| logP: | 4.9083 |
| logD: | 4.9068 |
| logSw: | -4.645 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 65.83 |
| InChI Key: | YHWFKXXBLQNSBB-UHFFFAOYSA-N |