1-tert-butyl-3-methyl-4-(4-methylbenzene-1-sulfonyl)-1H-pyrazol-5-yl 2-chloro-5-nitrobenzoate
Chemical Structure Depiction of
1-tert-butyl-3-methyl-4-(4-methylbenzene-1-sulfonyl)-1H-pyrazol-5-yl 2-chloro-5-nitrobenzoate
1-tert-butyl-3-methyl-4-(4-methylbenzene-1-sulfonyl)-1H-pyrazol-5-yl 2-chloro-5-nitrobenzoate
Compound characteristics
| Compound ID: | C263-0143 |
| Compound Name: | 1-tert-butyl-3-methyl-4-(4-methylbenzene-1-sulfonyl)-1H-pyrazol-5-yl 2-chloro-5-nitrobenzoate |
| Molecular Weight: | 491.95 |
| Molecular Formula: | C22 H22 Cl N3 O6 S |
| Smiles: | Cc1ccc(cc1)S(c1c(C)nn(c1OC(c1cc(ccc1[Cl])[N+]([O-])=O)=O)C(C)(C)C)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.7796 |
| logD: | 4.7796 |
| logSw: | -5.0552 |
| Hydrogen bond acceptors count: | 12 |
| Polar surface area: | 98.399 |
| InChI Key: | KXIZXSGCJKSFSQ-UHFFFAOYSA-N |