N-(2-bromo-4,6-difluorophenyl)-5-methyl-3-[2-(2-methylpiperidin-1-yl)-2-oxoethyl]-4-oxo-3,4-dihydrothieno[2,3-d]pyrimidine-6-carboxamide
Chemical Structure Depiction of
N-(2-bromo-4,6-difluorophenyl)-5-methyl-3-[2-(2-methylpiperidin-1-yl)-2-oxoethyl]-4-oxo-3,4-dihydrothieno[2,3-d]pyrimidine-6-carboxamide
N-(2-bromo-4,6-difluorophenyl)-5-methyl-3-[2-(2-methylpiperidin-1-yl)-2-oxoethyl]-4-oxo-3,4-dihydrothieno[2,3-d]pyrimidine-6-carboxamide
Compound characteristics
| Compound ID: | K847-0541 |
| Compound Name: | N-(2-bromo-4,6-difluorophenyl)-5-methyl-3-[2-(2-methylpiperidin-1-yl)-2-oxoethyl]-4-oxo-3,4-dihydrothieno[2,3-d]pyrimidine-6-carboxamide |
| Molecular Weight: | 539.4 |
| Molecular Formula: | C22 H21 Br F2 N4 O3 S |
| Smiles: | CC1CCCCN1C(CN1C=Nc2c(C1=O)c(C)c(C(Nc1c(cc(cc1[Br])F)F)=O)s2)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 2.7833 |
| logD: | 0.8227 |
| logSw: | -3.1243 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 63.614 |
| InChI Key: | CEDJSQABICWRTO-NSHDSACASA-N |