1-(2,3-dimethylphenyl)-4-methyl-5-{2-[(2-methylpropyl)sulfamoyl]-4-nitrophenoxy}-N-[(oxolan-2-yl)methyl]-1H-pyrazole-3-carboxamide
Chemical Structure Depiction of
1-(2,3-dimethylphenyl)-4-methyl-5-{2-[(2-methylpropyl)sulfamoyl]-4-nitrophenoxy}-N-[(oxolan-2-yl)methyl]-1H-pyrazole-3-carboxamide
1-(2,3-dimethylphenyl)-4-methyl-5-{2-[(2-methylpropyl)sulfamoyl]-4-nitrophenoxy}-N-[(oxolan-2-yl)methyl]-1H-pyrazole-3-carboxamide
Compound characteristics
| Compound ID: | V003-4661 |
| Compound Name: | 1-(2,3-dimethylphenyl)-4-methyl-5-{2-[(2-methylpropyl)sulfamoyl]-4-nitrophenoxy}-N-[(oxolan-2-yl)methyl]-1H-pyrazole-3-carboxamide |
| Molecular Weight: | 585.68 |
| Molecular Formula: | C28 H35 N5 O7 S |
| Smiles: | CC(C)CNS(c1cc(ccc1Oc1c(C)c(C(NCC2CCCO2)=O)nn1c1cccc(C)c1C)[N+]([O-])=O)(=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.7632 |
| logD: | 4.763 |
| logSw: | -4.595 |
| Hydrogen bond acceptors count: | 14 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 129.378 |
| InChI Key: | AQWYPQTVRSDSDB-JOCHJYFZSA-N |