1-{4-[3,5-dimethyl-1-(propan-2-yl)-1H-pyrazole-4-sulfonyl]piperazin-1-yl}-2-(3-methylphenoxy)ethan-1-one
Chemical Structure Depiction of
1-{4-[3,5-dimethyl-1-(propan-2-yl)-1H-pyrazole-4-sulfonyl]piperazin-1-yl}-2-(3-methylphenoxy)ethan-1-one
1-{4-[3,5-dimethyl-1-(propan-2-yl)-1H-pyrazole-4-sulfonyl]piperazin-1-yl}-2-(3-methylphenoxy)ethan-1-one
Compound characteristics
| Compound ID: | F897-1057 |
| Compound Name: | 1-{4-[3,5-dimethyl-1-(propan-2-yl)-1H-pyrazole-4-sulfonyl]piperazin-1-yl}-2-(3-methylphenoxy)ethan-1-one |
| Molecular Weight: | 434.56 |
| Molecular Formula: | C21 H30 N4 O4 S |
| Smiles: | CC(C)n1c(C)c(c(C)n1)S(N1CCN(CC1)C(COc1cccc(C)c1)=O)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 1.6791 |
| logD: | 1.6791 |
| logSw: | -2.4773 |
| Hydrogen bond acceptors count: | 9 |
| Polar surface area: | 70.399 |
| InChI Key: | XKXLTPYFLNUJAC-UHFFFAOYSA-N |