1-{6-[4-(2-methyl-5-nitrobenzene-1-sulfonyl)piperazin-1-yl]pyridazin-3-yl}azepane
Chemical Structure Depiction of
1-{6-[4-(2-methyl-5-nitrobenzene-1-sulfonyl)piperazin-1-yl]pyridazin-3-yl}azepane
1-{6-[4-(2-methyl-5-nitrobenzene-1-sulfonyl)piperazin-1-yl]pyridazin-3-yl}azepane
Compound characteristics
| Compound ID: | G856-8685 |
| Compound Name: | 1-{6-[4-(2-methyl-5-nitrobenzene-1-sulfonyl)piperazin-1-yl]pyridazin-3-yl}azepane |
| Molecular Weight: | 460.55 |
| Molecular Formula: | C21 H28 N6 O4 S |
| Smiles: | Cc1ccc(cc1S(N1CCN(CC1)c1ccc(nn1)N1CCCCCC1)(=O)=O)[N+]([O-])=O |
| Stereo: | ACHIRAL |
| logP: | 4.1205 |
| logD: | 4.1077 |
| logSw: | -4.1875 |
| Hydrogen bond acceptors count: | 11 |
| Polar surface area: | 93.045 |
| InChI Key: | DBUMWAMHQLTJED-UHFFFAOYSA-N |