1-(2,3-dimethylphenyl)-N-(4-fluorophenyl)-4-methyl-5-{4-nitro-2-[(propan-2-yl)sulfamoyl]phenoxy}-1H-pyrazole-3-carboxamide
Chemical Structure Depiction of
1-(2,3-dimethylphenyl)-N-(4-fluorophenyl)-4-methyl-5-{4-nitro-2-[(propan-2-yl)sulfamoyl]phenoxy}-1H-pyrazole-3-carboxamide
1-(2,3-dimethylphenyl)-N-(4-fluorophenyl)-4-methyl-5-{4-nitro-2-[(propan-2-yl)sulfamoyl]phenoxy}-1H-pyrazole-3-carboxamide
Compound characteristics
| Compound ID: | V030-8441 |
| Compound Name: | 1-(2,3-dimethylphenyl)-N-(4-fluorophenyl)-4-methyl-5-{4-nitro-2-[(propan-2-yl)sulfamoyl]phenoxy}-1H-pyrazole-3-carboxamide |
| Molecular Weight: | 581.62 |
| Molecular Formula: | C28 H28 F N5 O6 S |
| Salt: | not_available |
| Smiles: | CC(C)NS(c1cc(ccc1Oc1c(C)c(C(Nc2ccc(cc2)F)=O)nn1c1cccc(C)c1C)[N+]([O-])=O)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 6.0227 |
| logD: | 6.0222 |
| logSw: | -5.5818 |
| Hydrogen bond acceptors count: | 13 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 118.59 |
| InChI Key: | OODRKWNRXXZMKJ-UHFFFAOYSA-N |