3-[2-(azepan-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-(azepan-1-yl)-2-oxoethyl]-6-methyl-5-[4-(pyrimidin-2-yl)piperazine-1-sulfonyl]thieno[2,3-d]pyrimidin-4(3H)-one
3-[2-(azepan-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: | C210-0036 |
| Compound Name: | 3-[2-(azepan-1-yl)-2-oxoethyl]-6-methyl-5-[4-(pyrimidin-2-yl)piperazine-1-sulfonyl]thieno[2,3-d]pyrimidin-4(3H)-one |
| Molecular Weight: | 531.66 |
| Molecular Formula: | C23 H29 N7 O4 S2 |
| Smiles: | Cc1c(c2C(N(CC(N3CCCCCC3)=O)C=Nc2s1)=O)S(N1CCN(CC1)c1ncccn1)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 1.5301 |
| logD: | 1.5301 |
| logSw: | -1.9808 |
| Hydrogen bond acceptors count: | 12 |
| Polar surface area: | 96.298 |
| InChI Key: | YPSAORPBMACUDJ-UHFFFAOYSA-N |