1-{6-[4-(4-methoxy-3-methylbenzene-1-sulfonyl)piperazin-1-yl]pyridazin-3-yl}azepane
Chemical Structure Depiction of
1-{6-[4-(4-methoxy-3-methylbenzene-1-sulfonyl)piperazin-1-yl]pyridazin-3-yl}azepane
1-{6-[4-(4-methoxy-3-methylbenzene-1-sulfonyl)piperazin-1-yl]pyridazin-3-yl}azepane
Compound characteristics
| Compound ID: | G856-8675 |
| Compound Name: | 1-{6-[4-(4-methoxy-3-methylbenzene-1-sulfonyl)piperazin-1-yl]pyridazin-3-yl}azepane |
| Molecular Weight: | 445.58 |
| Molecular Formula: | C22 H31 N5 O3 S |
| Smiles: | Cc1cc(ccc1OC)S(N1CCN(CC1)c1ccc(nn1)N1CCCCCC1)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.2442 |
| logD: | 4.2314 |
| logSw: | -4.3649 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 67.294 |
| InChI Key: | JPRGLLUYBAFTNC-UHFFFAOYSA-N |