4-(benzenesulfonyl)-1-tert-butyl-3-methyl-1H-pyrazol-5-yl 4-methyl-3-nitrobenzoate
Chemical Structure Depiction of
4-(benzenesulfonyl)-1-tert-butyl-3-methyl-1H-pyrazol-5-yl 4-methyl-3-nitrobenzoate
4-(benzenesulfonyl)-1-tert-butyl-3-methyl-1H-pyrazol-5-yl 4-methyl-3-nitrobenzoate
Compound characteristics
| Compound ID: | C263-0070 |
| Compound Name: | 4-(benzenesulfonyl)-1-tert-butyl-3-methyl-1H-pyrazol-5-yl 4-methyl-3-nitrobenzoate |
| Molecular Weight: | 457.5 |
| Molecular Formula: | C22 H23 N3 O6 S |
| Smiles: | Cc1ccc(cc1[N+]([O-])=O)C(=O)Oc1c(c(C)nn1C(C)(C)C)S(c1ccccc1)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.6968 |
| logD: | 3.6968 |
| logSw: | -4.1132 |
| Hydrogen bond acceptors count: | 12 |
| Polar surface area: | 98.098 |
| InChI Key: | XTBDZEXFLBPGHX-UHFFFAOYSA-N |