3-[4-(azepane-1-sulfonyl)-3,5-dimethyl-1H-pyrazole-1-carbonyl]-N,N-dimethylbenzene-1-sulfonamide
Chemical Structure Depiction of
3-[4-(azepane-1-sulfonyl)-3,5-dimethyl-1H-pyrazole-1-carbonyl]-N,N-dimethylbenzene-1-sulfonamide
3-[4-(azepane-1-sulfonyl)-3,5-dimethyl-1H-pyrazole-1-carbonyl]-N,N-dimethylbenzene-1-sulfonamide
Compound characteristics
| Compound ID: | G680-0483 |
| Compound Name: | 3-[4-(azepane-1-sulfonyl)-3,5-dimethyl-1H-pyrazole-1-carbonyl]-N,N-dimethylbenzene-1-sulfonamide |
| Molecular Weight: | 468.59 |
| Molecular Formula: | C20 H28 N4 O5 S2 |
| Smiles: | Cc1c(c(C)n(C(c2cccc(c2)S(N(C)C)(=O)=O)=O)n1)S(N1CCCCCC1)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 1.4779 |
| logD: | 1.4779 |
| logSw: | -2.3688 |
| Hydrogen bond acceptors count: | 13 |
| Polar surface area: | 93.558 |
| InChI Key: | ITAQXPREGSMPQC-UHFFFAOYSA-N |