N-(2-bromo-4-methylphenyl)-3-[2-(3,5-dimethylpiperidin-1-yl)-2-oxoethyl]-5-methyl-4-oxo-3,4-dihydrothieno[2,3-d]pyrimidine-6-carboxamide
Chemical Structure Depiction of
N-(2-bromo-4-methylphenyl)-3-[2-(3,5-dimethylpiperidin-1-yl)-2-oxoethyl]-5-methyl-4-oxo-3,4-dihydrothieno[2,3-d]pyrimidine-6-carboxamide
N-(2-bromo-4-methylphenyl)-3-[2-(3,5-dimethylpiperidin-1-yl)-2-oxoethyl]-5-methyl-4-oxo-3,4-dihydrothieno[2,3-d]pyrimidine-6-carboxamide
Compound characteristics
| Compound ID: | K895-0013 |
| Compound Name: | N-(2-bromo-4-methylphenyl)-3-[2-(3,5-dimethylpiperidin-1-yl)-2-oxoethyl]-5-methyl-4-oxo-3,4-dihydrothieno[2,3-d]pyrimidine-6-carboxamide |
| Molecular Weight: | 531.47 |
| Molecular Formula: | C24 H27 Br N4 O3 S |
| Smiles: | CC1CC(C)CN(C1)C(CN1C=Nc2c(C1=O)c(C)c(C(Nc1ccc(C)cc1[Br])=O)s2)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 4.0472 |
| logD: | 4.0365 |
| logSw: | -4.1612 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 64.894 |
| InChI Key: | GXSSOOUYDYIMQY-UHFFFAOYSA-N |