ethyl 2,5-dimethyl-4-[3-(trifluoromethyl)anilino]thieno[2,3-d]pyrimidine-6-carboxylate--hydrogen chloride (1/1)
Chemical Structure Depiction of
ethyl 2,5-dimethyl-4-[3-(trifluoromethyl)anilino]thieno[2,3-d]pyrimidine-6-carboxylate--hydrogen chloride (1/1)
ethyl 2,5-dimethyl-4-[3-(trifluoromethyl)anilino]thieno[2,3-d]pyrimidine-6-carboxylate--hydrogen chloride (1/1)
Compound characteristics
| Compound ID: | 3909-7546 |
| Compound Name: | ethyl 2,5-dimethyl-4-[3-(trifluoromethyl)anilino]thieno[2,3-d]pyrimidine-6-carboxylate--hydrogen chloride (1/1) |
| Molecular Weight: | 431.86 |
| Molecular Formula: | C18 H16 F3 N3 O2 S |
| Salt: | HCl |
| Smiles: | CCOC(c1c(C)c2c(Nc3cccc(c3)C(F)(F)F)nc(C)nc2s1)=O |
| Stereo: | ACHIRAL |
| logP: | 5.5533 |
| logD: | 5.4622 |
| logSw: | -5.771 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 49.833 |
| InChI Key: | IEFZCEGWLXAPIK-UHFFFAOYSA-N |