1-[1-(4-butoxybenzene-1-sulfonyl)-3,5-dimethyl-1H-pyrazole-4-sulfonyl]azepane
Chemical Structure Depiction of
1-[1-(4-butoxybenzene-1-sulfonyl)-3,5-dimethyl-1H-pyrazole-4-sulfonyl]azepane
1-[1-(4-butoxybenzene-1-sulfonyl)-3,5-dimethyl-1H-pyrazole-4-sulfonyl]azepane
Compound characteristics
| Compound ID: | G680-0692 |
| Compound Name: | 1-[1-(4-butoxybenzene-1-sulfonyl)-3,5-dimethyl-1H-pyrazole-4-sulfonyl]azepane |
| Molecular Weight: | 469.62 |
| Molecular Formula: | C21 H31 N3 O5 S2 |
| Smiles: | CCCCOc1ccc(cc1)S(n1c(C)c(c(C)n1)S(N1CCCCCC1)(=O)=O)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.6234 |
| logD: | 3.6234 |
| logSw: | -3.6346 |
| Hydrogen bond acceptors count: | 11 |
| Polar surface area: | 80.318 |
| InChI Key: | DWVMMCWFEASEES-UHFFFAOYSA-N |