N-(butan-2-yl)-1-(2,3-dimethylphenyl)-4-methyl-5-{4-nitro-2-[(propan-2-yl)sulfamoyl]phenoxy}-1H-pyrazole-3-carboxamide
Chemical Structure Depiction of
N-(butan-2-yl)-1-(2,3-dimethylphenyl)-4-methyl-5-{4-nitro-2-[(propan-2-yl)sulfamoyl]phenoxy}-1H-pyrazole-3-carboxamide
N-(butan-2-yl)-1-(2,3-dimethylphenyl)-4-methyl-5-{4-nitro-2-[(propan-2-yl)sulfamoyl]phenoxy}-1H-pyrazole-3-carboxamide
Compound characteristics
| Compound ID: | V030-8428 |
| Compound Name: | N-(butan-2-yl)-1-(2,3-dimethylphenyl)-4-methyl-5-{4-nitro-2-[(propan-2-yl)sulfamoyl]phenoxy}-1H-pyrazole-3-carboxamide |
| Molecular Weight: | 543.64 |
| Molecular Formula: | C26 H33 N5 O6 S |
| Salt: | not_available |
| Smiles: | CCC(C)NC(c1c(C)c(n(c2cccc(C)c2C)n1)Oc1ccc(cc1S(NC(C)C)(=O)=O)[N+]([O-])=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.8276 |
| logD: | 4.8274 |
| logSw: | -4.6466 |
| Hydrogen bond acceptors count: | 13 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 119.625 |
| InChI Key: | XRGWYRAMIZBJGW-KRWDZBQOSA-N |