1-tert-butyl-3-methyl-4-(4-methylbenzene-1-sulfonyl)-1H-pyrazol-5-yl 5-bromofuran-2-carboxylate
Chemical Structure Depiction of
1-tert-butyl-3-methyl-4-(4-methylbenzene-1-sulfonyl)-1H-pyrazol-5-yl 5-bromofuran-2-carboxylate
1-tert-butyl-3-methyl-4-(4-methylbenzene-1-sulfonyl)-1H-pyrazol-5-yl 5-bromofuran-2-carboxylate
Compound characteristics
| Compound ID: | C263-0102 |
| Compound Name: | 1-tert-butyl-3-methyl-4-(4-methylbenzene-1-sulfonyl)-1H-pyrazol-5-yl 5-bromofuran-2-carboxylate |
| Molecular Weight: | 481.36 |
| Molecular Formula: | C20 H21 Br N2 O5 S |
| Smiles: | Cc1ccc(cc1)S(c1c(C)nn(c1OC(c1ccc(o1)[Br])=O)C(C)(C)C)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.0799 |
| logD: | 4.0799 |
| logSw: | -4.2328 |
| Hydrogen bond acceptors count: | 9 |
| Polar surface area: | 73.944 |
| InChI Key: | XMEVUUZKLFVKQD-UHFFFAOYSA-N |