5-{2-[(butan-2-yl)sulfamoyl]-4-nitrophenoxy}-4-methyl-1-(4-methylphenyl)-N-[(oxolan-2-yl)methyl]-1H-pyrazole-3-carboxamide
Chemical Structure Depiction of
5-{2-[(butan-2-yl)sulfamoyl]-4-nitrophenoxy}-4-methyl-1-(4-methylphenyl)-N-[(oxolan-2-yl)methyl]-1H-pyrazole-3-carboxamide
5-{2-[(butan-2-yl)sulfamoyl]-4-nitrophenoxy}-4-methyl-1-(4-methylphenyl)-N-[(oxolan-2-yl)methyl]-1H-pyrazole-3-carboxamide
Compound characteristics
| Compound ID: | V030-2901 |
| Compound Name: | 5-{2-[(butan-2-yl)sulfamoyl]-4-nitrophenoxy}-4-methyl-1-(4-methylphenyl)-N-[(oxolan-2-yl)methyl]-1H-pyrazole-3-carboxamide |
| Molecular Weight: | 571.65 |
| Molecular Formula: | C27 H33 N5 O7 S |
| Salt: | not_available |
| Smiles: | CCC(C)NS(c1cc(ccc1Oc1c(C)c(C(NCC2CCCO2)=O)nn1c1ccc(C)cc1)[N+]([O-])=O)(=O)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 4.117 |
| logD: | 4.1168 |
| logSw: | -4.2101 |
| Hydrogen bond acceptors count: | 14 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 129.334 |
| InChI Key: | JRYNIRVVRFJABS-UHFFFAOYSA-N |