1,4-dimethyl-5-{2-[(2-methylpropyl)sulfamoyl]-4-nitrophenoxy}-N-{[3-(trifluoromethyl)phenyl]methyl}-1H-pyrazole-3-carboxamide
Chemical Structure Depiction of
1,4-dimethyl-5-{2-[(2-methylpropyl)sulfamoyl]-4-nitrophenoxy}-N-{[3-(trifluoromethyl)phenyl]methyl}-1H-pyrazole-3-carboxamide
1,4-dimethyl-5-{2-[(2-methylpropyl)sulfamoyl]-4-nitrophenoxy}-N-{[3-(trifluoromethyl)phenyl]methyl}-1H-pyrazole-3-carboxamide
Compound characteristics
| Compound ID: | V029-9784 |
| Compound Name: | 1,4-dimethyl-5-{2-[(2-methylpropyl)sulfamoyl]-4-nitrophenoxy}-N-{[3-(trifluoromethyl)phenyl]methyl}-1H-pyrazole-3-carboxamide |
| Molecular Weight: | 569.56 |
| Molecular Formula: | C24 H26 F3 N5 O6 S |
| Salt: | not_available |
| Smiles: | CC(C)CNS(c1cc(ccc1Oc1c(C)c(C(NCc2cccc(c2)C(F)(F)F)=O)nn1C)[N+]([O-])=O)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.2264 |
| logD: | 4.2263 |
| logSw: | -4.4807 |
| Hydrogen bond acceptors count: | 13 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 121.446 |
| InChI Key: | MPKYXFGVQKSRKK-UHFFFAOYSA-N |