3-[2-(4-benzylpiperidin-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-(4-benzylpiperidin-1-yl)-2-oxoethyl]-6-methyl-5-[4-(pyrimidin-2-yl)piperazine-1-sulfonyl]thieno[2,3-d]pyrimidin-4(3H)-one
3-[2-(4-benzylpiperidin-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: | C210-0053 |
| Compound Name: | 3-[2-(4-benzylpiperidin-1-yl)-2-oxoethyl]-6-methyl-5-[4-(pyrimidin-2-yl)piperazine-1-sulfonyl]thieno[2,3-d]pyrimidin-4(3H)-one |
| Molecular Weight: | 607.75 |
| Molecular Formula: | C29 H33 N7 O4 S2 |
| Smiles: | Cc1c(c2C(N(CC(N3CCC(CC3)Cc3ccccc3)=O)C=Nc2s1)=O)S(N1CCN(CC1)c1ncccn1)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.005 |
| logD: | 3.005 |
| logSw: | -3.3449 |
| Hydrogen bond acceptors count: | 12 |
| Polar surface area: | 95.696 |
| InChI Key: | WWWQSNFZMLAGDI-UHFFFAOYSA-N |