1-[1-(4-tert-butylbenzene-1-sulfonyl)-3,5-dimethyl-1H-pyrazole-4-sulfonyl]azepane
Chemical Structure Depiction of
1-[1-(4-tert-butylbenzene-1-sulfonyl)-3,5-dimethyl-1H-pyrazole-4-sulfonyl]azepane
1-[1-(4-tert-butylbenzene-1-sulfonyl)-3,5-dimethyl-1H-pyrazole-4-sulfonyl]azepane
Compound characteristics
| Compound ID: | G680-0630 |
| Compound Name: | 1-[1-(4-tert-butylbenzene-1-sulfonyl)-3,5-dimethyl-1H-pyrazole-4-sulfonyl]azepane |
| Molecular Weight: | 453.62 |
| Molecular Formula: | C21 H31 N3 O4 S2 |
| Smiles: | Cc1c(c(C)n(n1)S(c1ccc(cc1)C(C)(C)C)(=O)=O)S(N1CCCCCC1)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.9856 |
| logD: | 3.9856 |
| logSw: | -3.9603 |
| Hydrogen bond acceptors count: | 10 |
| Polar surface area: | 72.901 |
| InChI Key: | NGIVZTLMCNVGPY-UHFFFAOYSA-N |