1-[1-(3,4-dimethylbenzene-1-sulfonyl)-3,5-dimethyl-1H-pyrazole-4-sulfonyl]azepane
Chemical Structure Depiction of
1-[1-(3,4-dimethylbenzene-1-sulfonyl)-3,5-dimethyl-1H-pyrazole-4-sulfonyl]azepane
1-[1-(3,4-dimethylbenzene-1-sulfonyl)-3,5-dimethyl-1H-pyrazole-4-sulfonyl]azepane
Compound characteristics
| Compound ID: | G680-0665 |
| Compound Name: | 1-[1-(3,4-dimethylbenzene-1-sulfonyl)-3,5-dimethyl-1H-pyrazole-4-sulfonyl]azepane |
| Molecular Weight: | 425.57 |
| Molecular Formula: | C19 H27 N3 O4 S2 |
| Smiles: | Cc1ccc(cc1C)S(n1c(C)c(c(C)n1)S(N1CCCCCC1)(=O)=O)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.2161 |
| logD: | 3.2161 |
| logSw: | -3.3016 |
| Hydrogen bond acceptors count: | 10 |
| Polar surface area: | 72.901 |
| InChI Key: | FFVMMHBVKRSMIG-UHFFFAOYSA-N |