3-methyl-4-(4-nitrobenzene-1-sulfonyl)-1-phenyl-1H-pyrazol-5-yl 2,2-dimethylpropanoate
Chemical Structure Depiction of
3-methyl-4-(4-nitrobenzene-1-sulfonyl)-1-phenyl-1H-pyrazol-5-yl 2,2-dimethylpropanoate
3-methyl-4-(4-nitrobenzene-1-sulfonyl)-1-phenyl-1H-pyrazol-5-yl 2,2-dimethylpropanoate
Compound characteristics
| Compound ID: | C263-0388 |
| Compound Name: | 3-methyl-4-(4-nitrobenzene-1-sulfonyl)-1-phenyl-1H-pyrazol-5-yl 2,2-dimethylpropanoate |
| Molecular Weight: | 443.48 |
| Molecular Formula: | C21 H21 N3 O6 S |
| Smiles: | Cc1c(c(n(c2ccccc2)n1)OC(C(C)(C)C)=O)S(c1ccc(cc1)[N+]([O-])=O)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.0113 |
| logD: | 4.0113 |
| logSw: | -4.1617 |
| Hydrogen bond acceptors count: | 12 |
| Polar surface area: | 97.704 |
| InChI Key: | YSLMPXYHUSQQLU-UHFFFAOYSA-N |