methyl 1,7-dimethyl-2,4-dioxo-3-{2-oxo-2-[3-(trifluoromethyl)anilino]ethyl}-1,2,3,4-tetrahydropyrido[2,3-d]pyrimidine-5-carboxylate
Chemical Structure Depiction of
methyl 1,7-dimethyl-2,4-dioxo-3-{2-oxo-2-[3-(trifluoromethyl)anilino]ethyl}-1,2,3,4-tetrahydropyrido[2,3-d]pyrimidine-5-carboxylate
methyl 1,7-dimethyl-2,4-dioxo-3-{2-oxo-2-[3-(trifluoromethyl)anilino]ethyl}-1,2,3,4-tetrahydropyrido[2,3-d]pyrimidine-5-carboxylate
Compound characteristics
| Compound ID: | J026-3816 |
| Compound Name: | methyl 1,7-dimethyl-2,4-dioxo-3-{2-oxo-2-[3-(trifluoromethyl)anilino]ethyl}-1,2,3,4-tetrahydropyrido[2,3-d]pyrimidine-5-carboxylate |
| Molecular Weight: | 450.37 |
| Molecular Formula: | C20 H17 F3 N4 O5 |
| Smiles: | Cc1cc(C(=O)OC)c2C(N(CC(Nc3cccc(c3)C(F)(F)F)=O)C(N(C)c2n1)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.2777 |
| logD: | 3.2775 |
| logSw: | -3.5254 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 85.332 |
| InChI Key: | IXOJERKPVACUPN-UHFFFAOYSA-N |