3-[2-(3,5-dimethylpiperidin-1-yl)-2-oxoethyl]-6-methyl-5-[4-(pyrimidin-2-yl)piperazine-1-sulfonyl]thieno[2,3-d]pyrimidin-4(3H)-one
Chemical Structure Depiction of
3-[2-(3,5-dimethylpiperidin-1-yl)-2-oxoethyl]-6-methyl-5-[4-(pyrimidin-2-yl)piperazine-1-sulfonyl]thieno[2,3-d]pyrimidin-4(3H)-one
3-[2-(3,5-dimethylpiperidin-1-yl)-2-oxoethyl]-6-methyl-5-[4-(pyrimidin-2-yl)piperazine-1-sulfonyl]thieno[2,3-d]pyrimidin-4(3H)-one
Compound characteristics
| Compound ID: | C210-0084 |
| Compound Name: | 3-[2-(3,5-dimethylpiperidin-1-yl)-2-oxoethyl]-6-methyl-5-[4-(pyrimidin-2-yl)piperazine-1-sulfonyl]thieno[2,3-d]pyrimidin-4(3H)-one |
| Molecular Weight: | 545.68 |
| Molecular Formula: | C24 H31 N7 O4 S2 |
| Smiles: | CC1CC(C)CN(C1)C(CN1C=Nc2c(C1=O)c(c(C)s2)S(N1CCN(CC1)c1ncccn1)(=O)=O)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 1.9494 |
| logD: | 1.9494 |
| logSw: | -2.0162 |
| Hydrogen bond acceptors count: | 12 |
| Polar surface area: | 95.834 |
| InChI Key: | ZQORRCOOWGITMJ-UHFFFAOYSA-N |