4-methyl-5-{2-[(2-methylpropyl)sulfamoyl]-4-nitrophenoxy}-N,1-di(propan-2-yl)-1H-pyrazole-3-carboxamide
Chemical Structure Depiction of
4-methyl-5-{2-[(2-methylpropyl)sulfamoyl]-4-nitrophenoxy}-N,1-di(propan-2-yl)-1H-pyrazole-3-carboxamide
4-methyl-5-{2-[(2-methylpropyl)sulfamoyl]-4-nitrophenoxy}-N,1-di(propan-2-yl)-1H-pyrazole-3-carboxamide
Compound characteristics
| Compound ID: | V003-8852 |
| Compound Name: | 4-methyl-5-{2-[(2-methylpropyl)sulfamoyl]-4-nitrophenoxy}-N,1-di(propan-2-yl)-1H-pyrazole-3-carboxamide |
| Molecular Weight: | 481.57 |
| Molecular Formula: | C21 H31 N5 O6 S |
| Salt: | not_available |
| Smiles: | CC(C)CNS(c1cc(ccc1Oc1c(C)c(C(NC(C)C)=O)nn1C(C)C)[N+]([O-])=O)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.6768 |
| logD: | 3.6767 |
| logSw: | -4.0384 |
| Hydrogen bond acceptors count: | 13 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 120.874 |
| InChI Key: | BWMXQGTVYWLKDA-UHFFFAOYSA-N |