3-tert-butyl-1-(3-chlorophenyl)-1H-pyrazol-5-yl quinoline-8-sulfonate
Chemical Structure Depiction of
3-tert-butyl-1-(3-chlorophenyl)-1H-pyrazol-5-yl quinoline-8-sulfonate
3-tert-butyl-1-(3-chlorophenyl)-1H-pyrazol-5-yl quinoline-8-sulfonate
Compound characteristics
| Compound ID: | V015-4474 |
| Compound Name: | 3-tert-butyl-1-(3-chlorophenyl)-1H-pyrazol-5-yl quinoline-8-sulfonate |
| Molecular Weight: | 441.93 |
| Molecular Formula: | C22 H20 Cl N3 O3 S |
| Salt: | not_available |
| Smiles: | CC(C)(C)c1cc(n(c2cccc(c2)[Cl])n1)OS(c1cccc2cccnc12)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 5.02 |
| logD: | 5.02 |
| logSw: | -5.0725 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 59.028 |
| InChI Key: | AULNPRPBBGSYBI-UHFFFAOYSA-N |