1-{3,5-dimethyl-1-[4-(propan-2-yl)benzene-1-sulfonyl]-1H-pyrazole-4-sulfonyl}azepane
Chemical Structure Depiction of
1-{3,5-dimethyl-1-[4-(propan-2-yl)benzene-1-sulfonyl]-1H-pyrazole-4-sulfonyl}azepane
1-{3,5-dimethyl-1-[4-(propan-2-yl)benzene-1-sulfonyl]-1H-pyrazole-4-sulfonyl}azepane
Compound characteristics
| Compound ID: | G680-0621 |
| Compound Name: | 1-{3,5-dimethyl-1-[4-(propan-2-yl)benzene-1-sulfonyl]-1H-pyrazole-4-sulfonyl}azepane |
| Molecular Weight: | 439.59 |
| Molecular Formula: | C20 H29 N3 O4 S2 |
| Smiles: | CC(C)c1ccc(cc1)S(n1c(C)c(c(C)n1)S(N1CCCCCC1)(=O)=O)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.5293 |
| logD: | 3.5293 |
| logSw: | -3.7149 |
| Hydrogen bond acceptors count: | 10 |
| Polar surface area: | 72.901 |
| InChI Key: | CTRAEZKOAXFUIZ-UHFFFAOYSA-N |