1-[1-(4-methoxy-3-methylbenzene-1-sulfonyl)-3,5-dimethyl-1H-pyrazole-4-sulfonyl]azepane
Chemical Structure Depiction of
1-[1-(4-methoxy-3-methylbenzene-1-sulfonyl)-3,5-dimethyl-1H-pyrazole-4-sulfonyl]azepane
1-[1-(4-methoxy-3-methylbenzene-1-sulfonyl)-3,5-dimethyl-1H-pyrazole-4-sulfonyl]azepane
Compound characteristics
| Compound ID: | G680-0576 |
| Compound Name: | 1-[1-(4-methoxy-3-methylbenzene-1-sulfonyl)-3,5-dimethyl-1H-pyrazole-4-sulfonyl]azepane |
| Molecular Weight: | 441.57 |
| Molecular Formula: | C19 H27 N3 O5 S2 |
| Smiles: | Cc1cc(ccc1OC)S(n1c(C)c(c(C)n1)S(N1CCCCCC1)(=O)=O)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.6445 |
| logD: | 2.6445 |
| logSw: | -2.8813 |
| Hydrogen bond acceptors count: | 11 |
| Polar surface area: | 80.531 |
| InChI Key: | LKMYFSZHZRFKOA-UHFFFAOYSA-N |