3-(3,4-dichlorophenyl)-N,N,5-trimethyl-2,4-dioxo-1-{2-oxo-2-[3-(trifluoromethyl)anilino]ethyl}-1,2,3,4-tetrahydrothieno[2,3-d]pyrimidine-6-carboxamide
Chemical Structure Depiction of
3-(3,4-dichlorophenyl)-N,N,5-trimethyl-2,4-dioxo-1-{2-oxo-2-[3-(trifluoromethyl)anilino]ethyl}-1,2,3,4-tetrahydrothieno[2,3-d]pyrimidine-6-carboxamide
3-(3,4-dichlorophenyl)-N,N,5-trimethyl-2,4-dioxo-1-{2-oxo-2-[3-(trifluoromethyl)anilino]ethyl}-1,2,3,4-tetrahydrothieno[2,3-d]pyrimidine-6-carboxamide
Compound characteristics
| Compound ID: | K305-0040 |
| Compound Name: | 3-(3,4-dichlorophenyl)-N,N,5-trimethyl-2,4-dioxo-1-{2-oxo-2-[3-(trifluoromethyl)anilino]ethyl}-1,2,3,4-tetrahydrothieno[2,3-d]pyrimidine-6-carboxamide |
| Molecular Weight: | 599.41 |
| Molecular Formula: | C25 H19 Cl2 F3 N4 O4 S |
| Smiles: | Cc1c2C(N(C(N(CC(Nc3cccc(c3)C(F)(F)F)=O)c2sc1C(N(C)C)=O)=O)c1ccc(c(c1)[Cl])[Cl])=O |
| Stereo: | ACHIRAL |
| logP: | 4.9352 |
| logD: | 4.9349 |
| logSw: | -5.1771 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 70.257 |
| InChI Key: | IAKRBVWVHFYOTE-UHFFFAOYSA-N |