4-(benzenesulfonyl)-1-tert-butyl-3-methyl-1H-pyrazol-5-yl 2-nitrobenzoate
Chemical Structure Depiction of
4-(benzenesulfonyl)-1-tert-butyl-3-methyl-1H-pyrazol-5-yl 2-nitrobenzoate
4-(benzenesulfonyl)-1-tert-butyl-3-methyl-1H-pyrazol-5-yl 2-nitrobenzoate
Compound characteristics
| Compound ID: | C263-0052 |
| Compound Name: | 4-(benzenesulfonyl)-1-tert-butyl-3-methyl-1H-pyrazol-5-yl 2-nitrobenzoate |
| Molecular Weight: | 443.48 |
| Molecular Formula: | C21 H21 N3 O6 S |
| Smiles: | Cc1c(c(n(C(C)(C)C)n1)OC(c1ccccc1[N+]([O-])=O)=O)S(c1ccccc1)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.2541 |
| logD: | 3.2541 |
| logSw: | -4.0882 |
| Hydrogen bond acceptors count: | 12 |
| Polar surface area: | 98.098 |
| InChI Key: | KWFAJIBNAGCSSD-UHFFFAOYSA-N |