1-tert-butyl-N-(2-methoxyethyl)-4-methyl-5-[4-nitro-2-(propylsulfamoyl)phenoxy]-1H-pyrazole-3-carboxamide
Chemical Structure Depiction of
1-tert-butyl-N-(2-methoxyethyl)-4-methyl-5-[4-nitro-2-(propylsulfamoyl)phenoxy]-1H-pyrazole-3-carboxamide
1-tert-butyl-N-(2-methoxyethyl)-4-methyl-5-[4-nitro-2-(propylsulfamoyl)phenoxy]-1H-pyrazole-3-carboxamide
Compound characteristics
| Compound ID: | V008-4637 |
| Compound Name: | 1-tert-butyl-N-(2-methoxyethyl)-4-methyl-5-[4-nitro-2-(propylsulfamoyl)phenoxy]-1H-pyrazole-3-carboxamide |
| Molecular Weight: | 497.57 |
| Molecular Formula: | C21 H31 N5 O7 S |
| Smiles: | CCCNS(c1cc(ccc1Oc1c(C)c(C(NCCOC)=O)nn1C(C)(C)C)[N+]([O-])=O)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.0246 |
| logD: | 3.0244 |
| logSw: | -3.5799 |
| Hydrogen bond acceptors count: | 14 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 130.289 |
| InChI Key: | JTIJLYCPVMJZLA-UHFFFAOYSA-N |