1-{4-[4-(pyrimidin-2-yl)piperazine-1-sulfonyl]benzene-1-sulfonyl}azepane
Chemical Structure Depiction of
1-{4-[4-(pyrimidin-2-yl)piperazine-1-sulfonyl]benzene-1-sulfonyl}azepane
1-{4-[4-(pyrimidin-2-yl)piperazine-1-sulfonyl]benzene-1-sulfonyl}azepane
Compound characteristics
| Compound ID: | D122-0109 |
| Compound Name: | 1-{4-[4-(pyrimidin-2-yl)piperazine-1-sulfonyl]benzene-1-sulfonyl}azepane |
| Molecular Weight: | 465.59 |
| Molecular Formula: | C20 H27 N5 O4 S2 |
| Smiles: | C1CCCN(CC1)S(c1ccc(cc1)S(N1CCN(CC1)c1ncccn1)(=O)=O)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.7665 |
| logD: | 2.7665 |
| logSw: | -3.0396 |
| Hydrogen bond acceptors count: | 12 |
| Polar surface area: | 85.614 |
| InChI Key: | YYEKQUFUXXCWLX-UHFFFAOYSA-N |