1-[4-(azepane-1-sulfonyl)-3,5-dimethyl-1H-pyrazol-1-yl]-2-(4-tert-butylphenoxy)ethan-1-one
Chemical Structure Depiction of
1-[4-(azepane-1-sulfonyl)-3,5-dimethyl-1H-pyrazol-1-yl]-2-(4-tert-butylphenoxy)ethan-1-one
1-[4-(azepane-1-sulfonyl)-3,5-dimethyl-1H-pyrazol-1-yl]-2-(4-tert-butylphenoxy)ethan-1-one
Compound characteristics
| Compound ID: | G680-0469 |
| Compound Name: | 1-[4-(azepane-1-sulfonyl)-3,5-dimethyl-1H-pyrazol-1-yl]-2-(4-tert-butylphenoxy)ethan-1-one |
| Molecular Weight: | 447.6 |
| Molecular Formula: | C23 H33 N3 O4 S |
| Smiles: | Cc1c(c(C)n(C(COc2ccc(cc2)C(C)(C)C)=O)n1)S(N1CCCCCC1)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.6694 |
| logD: | 3.6694 |
| logSw: | -3.7203 |
| Hydrogen bond acceptors count: | 9 |
| Polar surface area: | 66.866 |
| InChI Key: | XBKNOJUNJUHTMG-UHFFFAOYSA-N |