N-[3-(azepan-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-(azepan-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-(azepan-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: | C210-0109 |
Compound Name: | N-[3-(azepan-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: | 588.75 |
Molecular Formula: | C26 H36 N8 O4 S2 |
Smiles: | Cc1c(c2C(N(CC(NCCCN3CCCCCC3)=O)C=Nc2s1)=O)S(N1CCN(CC1)c1ncccn1)(=O)=O |
Stereo: | ACHIRAL |
logP: | 1.3018 |
logD: | -1.3268 |
logSw: | -2.1584 |
Hydrogen bond acceptors count: | 13 |
Hydrogen bond donors count: | 1 |
Polar surface area: | 108.201 |
InChI Key: | QDGFPZKPMUIKAF-UHFFFAOYSA-N |