1-(2,3-dimethylphenyl)-4-methyl-5-{4-nitro-2-[(propan-2-yl)sulfamoyl]phenoxy}-N-{[3-(trifluoromethyl)phenyl]methyl}-1H-pyrazole-3-carboxamide
Chemical Structure Depiction of
1-(2,3-dimethylphenyl)-4-methyl-5-{4-nitro-2-[(propan-2-yl)sulfamoyl]phenoxy}-N-{[3-(trifluoromethyl)phenyl]methyl}-1H-pyrazole-3-carboxamide
1-(2,3-dimethylphenyl)-4-methyl-5-{4-nitro-2-[(propan-2-yl)sulfamoyl]phenoxy}-N-{[3-(trifluoromethyl)phenyl]methyl}-1H-pyrazole-3-carboxamide
Compound characteristics
| Compound ID: | V030-8466 |
| Compound Name: | 1-(2,3-dimethylphenyl)-4-methyl-5-{4-nitro-2-[(propan-2-yl)sulfamoyl]phenoxy}-N-{[3-(trifluoromethyl)phenyl]methyl}-1H-pyrazole-3-carboxamide |
| Molecular Weight: | 645.66 |
| Molecular Formula: | C30 H30 F3 N5 O6 S |
| Salt: | not_available |
| Smiles: | CC(C)NS(c1cc(ccc1Oc1c(C)c(C(NCc2cccc(c2)C(F)(F)F)=O)nn1c1cccc(C)c1C)[N+]([O-])=O)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 6.3836 |
| logD: | 6.3834 |
| logSw: | -5.7486 |
| Hydrogen bond acceptors count: | 13 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 119.912 |
| InChI Key: | KHWHKLNXDUCSDL-UHFFFAOYSA-N |