[4-(azepane-1-sulfonyl)-3,5-dimethyl-1H-pyrazol-1-yl](2H-1,3-benzodioxol-5-yl)methanone
Chemical Structure Depiction of
[4-(azepane-1-sulfonyl)-3,5-dimethyl-1H-pyrazol-1-yl](2H-1,3-benzodioxol-5-yl)methanone
[4-(azepane-1-sulfonyl)-3,5-dimethyl-1H-pyrazol-1-yl](2H-1,3-benzodioxol-5-yl)methanone
Compound characteristics
| Compound ID: | G680-0177 |
| Compound Name: | [4-(azepane-1-sulfonyl)-3,5-dimethyl-1H-pyrazol-1-yl](2H-1,3-benzodioxol-5-yl)methanone |
| Molecular Weight: | 405.47 |
| Molecular Formula: | C19 H23 N3 O5 S |
| Smiles: | Cc1c(c(C)n(C(c2ccc3c(c2)OCO3)=O)n1)S(N1CCCCCC1)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 1.9818 |
| logD: | 1.9818 |
| logSw: | -2.5559 |
| Hydrogen bond acceptors count: | 10 |
| Polar surface area: | 77.01 |
| InChI Key: | AHMQLPKTWZFHNJ-UHFFFAOYSA-N |