2-[(cyanomethyl)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-[(cyanomethyl)sulfanyl]-5-methyl-4-oxo-3-(2-phenylethyl)-N-[2-(trifluoromethyl)phenyl]-3,4-dihydrothieno[2,3-d]pyrimidine-6-carboxamide
2-[(cyanomethyl)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: | A0016855 |
| Compound Name: | 2-[(cyanomethyl)sulfanyl]-5-methyl-4-oxo-3-(2-phenylethyl)-N-[2-(trifluoromethyl)phenyl]-3,4-dihydrothieno[2,3-d]pyrimidine-6-carboxamide |
| Molecular Weight: | 528.57 |
| Molecular Formula: | C25 H19 F3 N4 O2 S2 |
| Smiles: | Cc1c2C(N(CCc3ccccc3)C(=Nc2sc1C(Nc1ccccc1C(F)(F)F)=O)SCC#N)=O |
| Stereo: | ACHIRAL |
| logP: | 5.0074 |
| logD: | 5.0059 |
| logSw: | -4.6745 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 65.809 |
| InChI Key: | KSVWTCTXMCJUSE-UHFFFAOYSA-N |