6-methyl-3-[2-oxo-2-(piperidin-1-yl)ethyl]-5-[4-(pyrimidin-2-yl)piperazine-1-sulfonyl]thieno[2,3-d]pyrimidin-4(3H)-one
Chemical Structure Depiction of
6-methyl-3-[2-oxo-2-(piperidin-1-yl)ethyl]-5-[4-(pyrimidin-2-yl)piperazine-1-sulfonyl]thieno[2,3-d]pyrimidin-4(3H)-one
6-methyl-3-[2-oxo-2-(piperidin-1-yl)ethyl]-5-[4-(pyrimidin-2-yl)piperazine-1-sulfonyl]thieno[2,3-d]pyrimidin-4(3H)-one
Compound characteristics
| Compound ID: | C210-0100 |
| Compound Name: | 6-methyl-3-[2-oxo-2-(piperidin-1-yl)ethyl]-5-[4-(pyrimidin-2-yl)piperazine-1-sulfonyl]thieno[2,3-d]pyrimidin-4(3H)-one |
| Molecular Weight: | 517.63 |
| Molecular Formula: | C22 H27 N7 O4 S2 |
| Smiles: | Cc1c(c2C(N(CC(N3CCCCC3)=O)C=Nc2s1)=O)S(N1CCN(CC1)c1ncccn1)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 1.0342 |
| logD: | 1.0341 |
| logSw: | -1.7899 |
| Hydrogen bond acceptors count: | 12 |
| Polar surface area: | 95.967 |
| InChI Key: | KXJCSVYVGPVBSD-UHFFFAOYSA-N |