2-(4-chloro-2-methylphenoxy)-1-[4-(1-ethyl-3,5-dimethyl-1H-pyrazole-4-sulfonyl)piperazin-1-yl]ethan-1-one
Chemical Structure Depiction of
2-(4-chloro-2-methylphenoxy)-1-[4-(1-ethyl-3,5-dimethyl-1H-pyrazole-4-sulfonyl)piperazin-1-yl]ethan-1-one
2-(4-chloro-2-methylphenoxy)-1-[4-(1-ethyl-3,5-dimethyl-1H-pyrazole-4-sulfonyl)piperazin-1-yl]ethan-1-one
Compound characteristics
| Compound ID: | F897-0866 |
| Compound Name: | 2-(4-chloro-2-methylphenoxy)-1-[4-(1-ethyl-3,5-dimethyl-1H-pyrazole-4-sulfonyl)piperazin-1-yl]ethan-1-one |
| Molecular Weight: | 454.97 |
| Molecular Formula: | C20 H27 Cl N4 O4 S |
| Smiles: | CCn1c(C)c(c(C)n1)S(N1CCN(CC1)C(COc1ccc(cc1C)[Cl])=O)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.0971 |
| logD: | 2.0971 |
| logSw: | -2.884 |
| Hydrogen bond acceptors count: | 9 |
| Polar surface area: | 69.742 |
| InChI Key: | ZHBPIVGUIHJDJU-UHFFFAOYSA-N |