1-{2-methyl-5-[6-(pyrrolidin-1-yl)pyridazin-3-yl]benzene-1-sulfonyl}azepane
Chemical Structure Depiction of
1-{2-methyl-5-[6-(pyrrolidin-1-yl)pyridazin-3-yl]benzene-1-sulfonyl}azepane
1-{2-methyl-5-[6-(pyrrolidin-1-yl)pyridazin-3-yl]benzene-1-sulfonyl}azepane
Compound characteristics
| Compound ID: | L285-2041 |
| Compound Name: | 1-{2-methyl-5-[6-(pyrrolidin-1-yl)pyridazin-3-yl]benzene-1-sulfonyl}azepane |
| Molecular Weight: | 400.54 |
| Molecular Formula: | C21 H28 N4 O2 S |
| Smiles: | Cc1ccc(cc1S(N1CCCCCC1)(=O)=O)c1ccc(nn1)N1CCCC1 |
| Stereo: | ACHIRAL |
| logP: | 4.1708 |
| logD: | 4.1691 |
| logSw: | -4.1425 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 57.034 |
| InChI Key: | GPQNKTIDUQPYIR-UHFFFAOYSA-N |