4-(benzenesulfonyl)-1-(2,4-dimethylphenyl)-3-methyl-1H-pyrazol-5-yl butanoate
Chemical Structure Depiction of
4-(benzenesulfonyl)-1-(2,4-dimethylphenyl)-3-methyl-1H-pyrazol-5-yl butanoate
4-(benzenesulfonyl)-1-(2,4-dimethylphenyl)-3-methyl-1H-pyrazol-5-yl butanoate
Compound characteristics
| Compound ID: | C263-0449 |
| Compound Name: | 4-(benzenesulfonyl)-1-(2,4-dimethylphenyl)-3-methyl-1H-pyrazol-5-yl butanoate |
| Molecular Weight: | 412.51 |
| Molecular Formula: | C22 H24 N2 O4 S |
| Smiles: | CCCC(=O)Oc1c(c(C)nn1c1ccc(C)cc1C)S(c1ccccc1)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.6463 |
| logD: | 4.6463 |
| logSw: | -4.4637 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 63.427 |
| InChI Key: | NRQNDOAMQCZUDU-UHFFFAOYSA-N |