4-(benzenesulfonyl)-1-tert-butyl-3-methyl-1H-pyrazol-5-yl 2-bromobenzoate
Chemical Structure Depiction of
4-(benzenesulfonyl)-1-tert-butyl-3-methyl-1H-pyrazol-5-yl 2-bromobenzoate
4-(benzenesulfonyl)-1-tert-butyl-3-methyl-1H-pyrazol-5-yl 2-bromobenzoate
Compound characteristics
| Compound ID: | C263-0045 |
| Compound Name: | 4-(benzenesulfonyl)-1-tert-butyl-3-methyl-1H-pyrazol-5-yl 2-bromobenzoate |
| Molecular Weight: | 477.38 |
| Molecular Formula: | C21 H21 Br N2 O4 S |
| Smiles: | Cc1c(c(n(C(C)(C)C)n1)OC(c1ccccc1[Br])=O)S(c1ccccc1)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.9796 |
| logD: | 3.9796 |
| logSw: | -4.3142 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 65.018 |
| InChI Key: | NMXFQCXQWLNNKU-UHFFFAOYSA-N |