2-({5,6-dimethyl-2,4-dioxo-3-[3-(trifluoromethyl)phenyl]-3,4-dihydrothieno[2,3-d]pyrimidin-1(2H)-yl}methyl)benzonitrile
Chemical Structure Depiction of
2-({5,6-dimethyl-2,4-dioxo-3-[3-(trifluoromethyl)phenyl]-3,4-dihydrothieno[2,3-d]pyrimidin-1(2H)-yl}methyl)benzonitrile
2-({5,6-dimethyl-2,4-dioxo-3-[3-(trifluoromethyl)phenyl]-3,4-dihydrothieno[2,3-d]pyrimidin-1(2H)-yl}methyl)benzonitrile
Compound characteristics
| Compound ID: | C242-1097 |
| Compound Name: | 2-({5,6-dimethyl-2,4-dioxo-3-[3-(trifluoromethyl)phenyl]-3,4-dihydrothieno[2,3-d]pyrimidin-1(2H)-yl}methyl)benzonitrile |
| Molecular Weight: | 455.46 |
| Molecular Formula: | C23 H16 F3 N3 O2 S |
| Smiles: | Cc1c2C(N(C(N(Cc3ccccc3C#N)c2sc1C)=O)c1cccc(c1)C(F)(F)F)=O |
| Stereo: | ACHIRAL |
| logP: | 5.1209 |
| logD: | 5.1209 |
| logSw: | -5.1305 |
| Hydrogen bond acceptors count: | 5 |
| Polar surface area: | 48.163 |
| InChI Key: | ZWKGCYUPAFSROI-UHFFFAOYSA-N |