1-[4-(azepane-1-sulfonyl)-3,5-dimethyl-1H-pyrazol-1-yl]-2-(2-nitrophenoxy)ethan-1-one
Chemical Structure Depiction of
1-[4-(azepane-1-sulfonyl)-3,5-dimethyl-1H-pyrazol-1-yl]-2-(2-nitrophenoxy)ethan-1-one
1-[4-(azepane-1-sulfonyl)-3,5-dimethyl-1H-pyrazol-1-yl]-2-(2-nitrophenoxy)ethan-1-one
Compound characteristics
| Compound ID: | G680-0462 |
| Compound Name: | 1-[4-(azepane-1-sulfonyl)-3,5-dimethyl-1H-pyrazol-1-yl]-2-(2-nitrophenoxy)ethan-1-one |
| Molecular Weight: | 436.49 |
| Molecular Formula: | C19 H24 N4 O6 S |
| Smiles: | Cc1c(c(C)n(C(COc2ccccc2[N+]([O-])=O)=O)n1)S(N1CCCCCC1)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 1.5817 |
| logD: | 1.5817 |
| logSw: | -2.2917 |
| Hydrogen bond acceptors count: | 13 |
| Polar surface area: | 100.033 |
| InChI Key: | ZEYAWRBODRQFHI-UHFFFAOYSA-N |