2-{[1-(3,5-dimethylpiperidin-1-yl)-1-oxobutan-2-yl]sulfanyl}-N,N,5-trimethyl-4-oxo-3-(2-phenylethyl)-3,4-dihydrothieno[2,3-d]pyrimidine-6-carboxamide
Chemical Structure Depiction of
2-{[1-(3,5-dimethylpiperidin-1-yl)-1-oxobutan-2-yl]sulfanyl}-N,N,5-trimethyl-4-oxo-3-(2-phenylethyl)-3,4-dihydrothieno[2,3-d]pyrimidine-6-carboxamide
2-{[1-(3,5-dimethylpiperidin-1-yl)-1-oxobutan-2-yl]sulfanyl}-N,N,5-trimethyl-4-oxo-3-(2-phenylethyl)-3,4-dihydrothieno[2,3-d]pyrimidine-6-carboxamide
Compound characteristics
| Compound ID: | K285-5134 |
| Compound Name: | 2-{[1-(3,5-dimethylpiperidin-1-yl)-1-oxobutan-2-yl]sulfanyl}-N,N,5-trimethyl-4-oxo-3-(2-phenylethyl)-3,4-dihydrothieno[2,3-d]pyrimidine-6-carboxamide |
| Molecular Weight: | 554.77 |
| Molecular Formula: | C29 H38 N4 O3 S2 |
| Smiles: | CCC(C(N1CC(C)CC(C)C1)=O)SC1=Nc2c(C(N1CCc1ccccc1)=O)c(C)c(C(N(C)C)=O)s2 |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 4.895 |
| logD: | 4.895 |
| logSw: | -4.6611 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 58.439 |
| InChI Key: | NJZBBXHGTIDSGP-UHFFFAOYSA-N |