1-[1-(3,4-dimethoxybenzene-1-sulfonyl)-3,5-dimethyl-1H-pyrazole-4-sulfonyl]azepane
Chemical Structure Depiction of
1-[1-(3,4-dimethoxybenzene-1-sulfonyl)-3,5-dimethyl-1H-pyrazole-4-sulfonyl]azepane
1-[1-(3,4-dimethoxybenzene-1-sulfonyl)-3,5-dimethyl-1H-pyrazole-4-sulfonyl]azepane
Compound characteristics
| Compound ID: | G680-0567 |
| Compound Name: | 1-[1-(3,4-dimethoxybenzene-1-sulfonyl)-3,5-dimethyl-1H-pyrazole-4-sulfonyl]azepane |
| Molecular Weight: | 457.57 |
| Molecular Formula: | C19 H27 N3 O6 S2 |
| Smiles: | Cc1c(c(C)n(n1)S(c1ccc(c(c1)OC)OC)(=O)=O)S(N1CCCCCC1)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 1.7974 |
| logD: | 1.7974 |
| logSw: | -2.507 |
| Hydrogen bond acceptors count: | 12 |
| Polar surface area: | 88.162 |
| InChI Key: | PKRUMRFZZOXHCU-UHFFFAOYSA-N |