N-[(2,3-dihydro-1,4-benzodioxin-2-yl)methyl]-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-[(2,3-dihydro-1,4-benzodioxin-2-yl)methyl]-5-methyl-4-oxo-3-{2-oxo-2-[3-(trifluoromethyl)anilino]ethyl}-3,4-dihydrothieno[2,3-d]pyrimidine-6-carboxamide
N-[(2,3-dihydro-1,4-benzodioxin-2-yl)methyl]-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: | K892-0230 |
| Compound Name: | N-[(2,3-dihydro-1,4-benzodioxin-2-yl)methyl]-5-methyl-4-oxo-3-{2-oxo-2-[3-(trifluoromethyl)anilino]ethyl}-3,4-dihydrothieno[2,3-d]pyrimidine-6-carboxamide |
| Molecular Weight: | 558.54 |
| Molecular Formula: | C26 H21 F3 N4 O5 S |
| Smiles: | Cc1c2C(N(CC(Nc3cccc(c3)C(F)(F)F)=O)C=Nc2sc1C(NCC1COc2ccccc2O1)=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.9065 |
| logD: | 3.9062 |
| logSw: | -4.2784 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 89.483 |
| InChI Key: | CXIYPLXYCHRXFE-KRWDZBQOSA-N |