2-(4-tert-butylphenoxy)-1-[3,5-dimethyl-4-(pyrrolidine-1-sulfonyl)-1H-pyrazol-1-yl]ethan-1-one
Chemical Structure Depiction of
2-(4-tert-butylphenoxy)-1-[3,5-dimethyl-4-(pyrrolidine-1-sulfonyl)-1H-pyrazol-1-yl]ethan-1-one
2-(4-tert-butylphenoxy)-1-[3,5-dimethyl-4-(pyrrolidine-1-sulfonyl)-1H-pyrazol-1-yl]ethan-1-one
Compound characteristics
| Compound ID: | G680-0470 |
| Compound Name: | 2-(4-tert-butylphenoxy)-1-[3,5-dimethyl-4-(pyrrolidine-1-sulfonyl)-1H-pyrazol-1-yl]ethan-1-one |
| Molecular Weight: | 419.54 |
| Molecular Formula: | C21 H29 N3 O4 S |
| Smiles: | Cc1c(c(C)n(C(COc2ccc(cc2)C(C)(C)C)=O)n1)S(N1CCCC1)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.843 |
| logD: | 2.843 |
| logSw: | -3.2304 |
| Hydrogen bond acceptors count: | 9 |
| Polar surface area: | 66.901 |
| InChI Key: | SMWFJMIVPNVTKB-UHFFFAOYSA-N |