4-(benzenesulfonyl)-1-tert-butyl-3-methyl-1H-pyrazol-5-yl 2-methylbenzoate
Chemical Structure Depiction of
4-(benzenesulfonyl)-1-tert-butyl-3-methyl-1H-pyrazol-5-yl 2-methylbenzoate
4-(benzenesulfonyl)-1-tert-butyl-3-methyl-1H-pyrazol-5-yl 2-methylbenzoate
Compound characteristics
| Compound ID: | C263-0039 |
| Compound Name: | 4-(benzenesulfonyl)-1-tert-butyl-3-methyl-1H-pyrazol-5-yl 2-methylbenzoate |
| Molecular Weight: | 412.51 |
| Molecular Formula: | C22 H24 N2 O4 S |
| Smiles: | Cc1ccccc1C(=O)Oc1c(c(C)nn1C(C)(C)C)S(c1ccccc1)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.9801 |
| logD: | 3.9801 |
| logSw: | -4.2648 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 65.018 |
| InChI Key: | JPLBDXKPNUQJAP-UHFFFAOYSA-N |