1-[(2-cyanophenyl)methyl]-N,N,5-trimethyl-2,4-dioxo-3-[2-(trifluoromethyl)phenyl]-1,2,3,4-tetrahydrothieno[2,3-d]pyrimidine-6-carboxamide
Chemical Structure Depiction of
1-[(2-cyanophenyl)methyl]-N,N,5-trimethyl-2,4-dioxo-3-[2-(trifluoromethyl)phenyl]-1,2,3,4-tetrahydrothieno[2,3-d]pyrimidine-6-carboxamide
1-[(2-cyanophenyl)methyl]-N,N,5-trimethyl-2,4-dioxo-3-[2-(trifluoromethyl)phenyl]-1,2,3,4-tetrahydrothieno[2,3-d]pyrimidine-6-carboxamide
Compound characteristics
| Compound ID: | K305-0377 |
| Compound Name: | 1-[(2-cyanophenyl)methyl]-N,N,5-trimethyl-2,4-dioxo-3-[2-(trifluoromethyl)phenyl]-1,2,3,4-tetrahydrothieno[2,3-d]pyrimidine-6-carboxamide |
| Molecular Weight: | 512.51 |
| Molecular Formula: | C25 H19 F3 N4 O3 S |
| Smiles: | Cc1c2C(N(C(N(Cc3ccccc3C#N)c2sc1C(N(C)C)=O)=O)c1ccccc1C(F)(F)F)=O |
| Stereo: | ACHIRAL |
| logP: | 3.8351 |
| logD: | 3.8351 |
| logSw: | -4.2038 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 63.863 |
| InChI Key: | AZCLGPBGCIWFBJ-UHFFFAOYSA-N |