N-[3-(3,5-dimethylpiperidin-1-yl)propyl]-2-{6-methyl-4-oxo-5-[4-(pyrimidin-2-yl)piperazine-1-sulfonyl]thieno[2,3-d]pyrimidin-3(4H)-yl}acetamide
Chemical Structure Depiction of
N-[3-(3,5-dimethylpiperidin-1-yl)propyl]-2-{6-methyl-4-oxo-5-[4-(pyrimidin-2-yl)piperazine-1-sulfonyl]thieno[2,3-d]pyrimidin-3(4H)-yl}acetamide
N-[3-(3,5-dimethylpiperidin-1-yl)propyl]-2-{6-methyl-4-oxo-5-[4-(pyrimidin-2-yl)piperazine-1-sulfonyl]thieno[2,3-d]pyrimidin-3(4H)-yl}acetamide
Compound characteristics
| Compound ID: | C210-0112 |
| Compound Name: | N-[3-(3,5-dimethylpiperidin-1-yl)propyl]-2-{6-methyl-4-oxo-5-[4-(pyrimidin-2-yl)piperazine-1-sulfonyl]thieno[2,3-d]pyrimidin-3(4H)-yl}acetamide |
| Molecular Weight: | 602.78 |
| Molecular Formula: | C27 H38 N8 O4 S2 |
| Smiles: | CC1CC(C)CN(CCCNC(CN2C=Nc3c(C2=O)c(c(C)s3)S(N2CCN(CC2)c2ncccn2)(=O)=O)=O)C1 |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 1.6454 |
| logD: | -0.9594 |
| logSw: | -2.3632 |
| Hydrogen bond acceptors count: | 13 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 107.737 |
| InChI Key: | NUMOSGAERWQTMO-UHFFFAOYSA-N |