1-[1-(4-methoxybenzene-1-sulfonyl)-3,5-dimethyl-1H-pyrazole-4-sulfonyl]azepane
Chemical Structure Depiction of
1-[1-(4-methoxybenzene-1-sulfonyl)-3,5-dimethyl-1H-pyrazole-4-sulfonyl]azepane
1-[1-(4-methoxybenzene-1-sulfonyl)-3,5-dimethyl-1H-pyrazole-4-sulfonyl]azepane
Compound characteristics
| Compound ID: | G680-0558 |
| Compound Name: | 1-[1-(4-methoxybenzene-1-sulfonyl)-3,5-dimethyl-1H-pyrazole-4-sulfonyl]azepane |
| Molecular Weight: | 427.54 |
| Molecular Formula: | C18 H25 N3 O5 S2 |
| Smiles: | Cc1c(c(C)n(n1)S(c1ccc(cc1)OC)(=O)=O)S(N1CCCCCC1)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.1735 |
| logD: | 2.1735 |
| logSw: | -2.4591 |
| Hydrogen bond acceptors count: | 11 |
| Polar surface area: | 80.445 |
| InChI Key: | XXHGLQGLUKMSKU-UHFFFAOYSA-N |