5-methyl-N-(4-methyl-1,3-benzothiazol-2-yl)-4-oxo-3-{2-oxo-2-[3-(trifluoromethyl)anilino]ethyl}-3,4-dihydrothieno[2,3-d]pyrimidine-6-carboxamide
Chemical Structure Depiction of
5-methyl-N-(4-methyl-1,3-benzothiazol-2-yl)-4-oxo-3-{2-oxo-2-[3-(trifluoromethyl)anilino]ethyl}-3,4-dihydrothieno[2,3-d]pyrimidine-6-carboxamide
5-methyl-N-(4-methyl-1,3-benzothiazol-2-yl)-4-oxo-3-{2-oxo-2-[3-(trifluoromethyl)anilino]ethyl}-3,4-dihydrothieno[2,3-d]pyrimidine-6-carboxamide
Compound characteristics
| Compound ID: | K892-0181 |
| Compound Name: | 5-methyl-N-(4-methyl-1,3-benzothiazol-2-yl)-4-oxo-3-{2-oxo-2-[3-(trifluoromethyl)anilino]ethyl}-3,4-dihydrothieno[2,3-d]pyrimidine-6-carboxamide |
| Molecular Weight: | 557.57 |
| Molecular Formula: | C25 H18 F3 N5 O3 S2 |
| Smiles: | Cc1cccc2c1nc(NC(c1c(C)c3C(N(CC(Nc4cccc(c4)C(F)(F)F)=O)C=Nc3s1)=O)=O)s2 |
| Stereo: | ACHIRAL |
| logP: | 5.4596 |
| logD: | 5.4122 |
| logSw: | -5.6298 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 83.014 |
| InChI Key: | GNCDIEKAUZKTLX-UHFFFAOYSA-N |