1-{6-[4-(2,4,5-trimethylbenzene-1-sulfonyl)piperazin-1-yl]pyridazin-3-yl}azepane
Chemical Structure Depiction of
1-{6-[4-(2,4,5-trimethylbenzene-1-sulfonyl)piperazin-1-yl]pyridazin-3-yl}azepane
1-{6-[4-(2,4,5-trimethylbenzene-1-sulfonyl)piperazin-1-yl]pyridazin-3-yl}azepane
Compound characteristics
| Compound ID: | G856-8683 |
| Compound Name: | 1-{6-[4-(2,4,5-trimethylbenzene-1-sulfonyl)piperazin-1-yl]pyridazin-3-yl}azepane |
| Molecular Weight: | 443.61 |
| Molecular Formula: | C23 H33 N5 O2 S |
| Smiles: | Cc1cc(C)c(cc1C)S(N1CCN(CC1)c1ccc(nn1)N1CCCCCC1)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 5.1232 |
| logD: | 5.1104 |
| logSw: | -5.0058 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 59.663 |
| InChI Key: | OGKNPJNGKMSEFG-UHFFFAOYSA-N |