N-butyl-5-methyl-4-oxo-3-{2-oxo-2-[3-(trifluoromethyl)anilino]ethyl}-3,4-dihydrothieno[2,3-d]pyrimidine-6-carboxamide
Chemical Structure Depiction of
N-butyl-5-methyl-4-oxo-3-{2-oxo-2-[3-(trifluoromethyl)anilino]ethyl}-3,4-dihydrothieno[2,3-d]pyrimidine-6-carboxamide
N-butyl-5-methyl-4-oxo-3-{2-oxo-2-[3-(trifluoromethyl)anilino]ethyl}-3,4-dihydrothieno[2,3-d]pyrimidine-6-carboxamide
Compound characteristics
| Compound ID: | K892-0233 |
| Compound Name: | N-butyl-5-methyl-4-oxo-3-{2-oxo-2-[3-(trifluoromethyl)anilino]ethyl}-3,4-dihydrothieno[2,3-d]pyrimidine-6-carboxamide |
| Molecular Weight: | 466.48 |
| Molecular Formula: | C21 H21 F3 N4 O3 S |
| Smiles: | CCCCNC(c1c(C)c2C(N(CC(Nc3cccc(c3)C(F)(F)F)=O)C=Nc2s1)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.8556 |
| logD: | 3.8553 |
| logSw: | -4.0959 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 73.917 |
| InChI Key: | LPYCCFIFNYGIJT-UHFFFAOYSA-N |