4-(benzenesulfonyl)-1-tert-butyl-3-methyl-1H-pyrazol-5-yl 3-phenylpropanoate
Chemical Structure Depiction of
4-(benzenesulfonyl)-1-tert-butyl-3-methyl-1H-pyrazol-5-yl 3-phenylpropanoate
4-(benzenesulfonyl)-1-tert-butyl-3-methyl-1H-pyrazol-5-yl 3-phenylpropanoate
Compound characteristics
| Compound ID: | C263-0014 |
| Compound Name: | 4-(benzenesulfonyl)-1-tert-butyl-3-methyl-1H-pyrazol-5-yl 3-phenylpropanoate |
| Molecular Weight: | 426.53 |
| Molecular Formula: | C23 H26 N2 O4 S |
| Smiles: | Cc1c(c(n(C(C)(C)C)n1)OC(CCc1ccccc1)=O)S(c1ccccc1)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.0374 |
| logD: | 4.0374 |
| logSw: | -4.2465 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 64.423 |
| InChI Key: | QCSMDOQGBKTDSM-UHFFFAOYSA-N |