1-tert-butyl-4-methyl-5-[4-nitro-2-(propylsulfamoyl)phenoxy]-N-propyl-1H-pyrazole-3-carboxamide
Chemical Structure Depiction of
1-tert-butyl-4-methyl-5-[4-nitro-2-(propylsulfamoyl)phenoxy]-N-propyl-1H-pyrazole-3-carboxamide
1-tert-butyl-4-methyl-5-[4-nitro-2-(propylsulfamoyl)phenoxy]-N-propyl-1H-pyrazole-3-carboxamide
Compound characteristics
| Compound ID: | V027-4430 |
| Compound Name: | 1-tert-butyl-4-methyl-5-[4-nitro-2-(propylsulfamoyl)phenoxy]-N-propyl-1H-pyrazole-3-carboxamide |
| Molecular Weight: | 481.57 |
| Molecular Formula: | C21 H31 N5 O6 S |
| Salt: | not_available |
| Smiles: | CCCNC(c1c(C)c(n(C(C)(C)C)n1)Oc1ccc(cc1S(NCCC)(=O)=O)[N+]([O-])=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.7575 |
| logD: | 3.7573 |
| logSw: | -3.9719 |
| Hydrogen bond acceptors count: | 13 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 121.946 |
| InChI Key: | NVFDQYUUNDCZCM-UHFFFAOYSA-N |