1-[4-(azepane-1-sulfonyl)-3,5-dimethyl-1H-pyrazol-1-yl]-2-(4-methoxyphenyl)ethan-1-one
Chemical Structure Depiction of
1-[4-(azepane-1-sulfonyl)-3,5-dimethyl-1H-pyrazol-1-yl]-2-(4-methoxyphenyl)ethan-1-one
1-[4-(azepane-1-sulfonyl)-3,5-dimethyl-1H-pyrazol-1-yl]-2-(4-methoxyphenyl)ethan-1-one
Compound characteristics
| Compound ID: | G680-0420 |
| Compound Name: | 1-[4-(azepane-1-sulfonyl)-3,5-dimethyl-1H-pyrazol-1-yl]-2-(4-methoxyphenyl)ethan-1-one |
| Molecular Weight: | 405.51 |
| Molecular Formula: | C20 H27 N3 O4 S |
| Smiles: | Cc1c(c(C)n(C(Cc2ccc(cc2)OC)=O)n1)S(N1CCCCCC1)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.166 |
| logD: | 2.164 |
| logSw: | -2.423 |
| Hydrogen bond acceptors count: | 9 |
| Polar surface area: | 66.911 |
| InChI Key: | IZIAPHORKOMZPW-UHFFFAOYSA-N |