1-tert-butyl-4-methyl-5-{2-[(2-methylpropyl)sulfamoyl]-4-nitrophenoxy}-1H-pyrazole-3-carboxamide
Chemical Structure Depiction of
1-tert-butyl-4-methyl-5-{2-[(2-methylpropyl)sulfamoyl]-4-nitrophenoxy}-1H-pyrazole-3-carboxamide
1-tert-butyl-4-methyl-5-{2-[(2-methylpropyl)sulfamoyl]-4-nitrophenoxy}-1H-pyrazole-3-carboxamide
Compound characteristics
| Compound ID: | V027-4479 |
| Compound Name: | 1-tert-butyl-4-methyl-5-{2-[(2-methylpropyl)sulfamoyl]-4-nitrophenoxy}-1H-pyrazole-3-carboxamide |
| Molecular Weight: | 453.52 |
| Molecular Formula: | C19 H27 N5 O6 S |
| Salt: | not_available |
| Smiles: | CC(C)CNS(c1cc(ccc1Oc1c(C)c(C(N)=O)nn1C(C)(C)C)[N+]([O-])=O)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.9607 |
| logD: | 2.9605 |
| logSw: | -3.6267 |
| Hydrogen bond acceptors count: | 13 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 131.637 |
| InChI Key: | YNMLARUSTXULMX-UHFFFAOYSA-N |