1-(2,3-dimethylphenyl)-4-methyl-5-[4-nitro-2-(pyrrolidine-1-sulfonyl)phenoxy]-N-{[3-(trifluoromethyl)phenyl]methyl}-1H-pyrazole-3-carboxamide
Chemical Structure Depiction of
1-(2,3-dimethylphenyl)-4-methyl-5-[4-nitro-2-(pyrrolidine-1-sulfonyl)phenoxy]-N-{[3-(trifluoromethyl)phenyl]methyl}-1H-pyrazole-3-carboxamide
1-(2,3-dimethylphenyl)-4-methyl-5-[4-nitro-2-(pyrrolidine-1-sulfonyl)phenoxy]-N-{[3-(trifluoromethyl)phenyl]methyl}-1H-pyrazole-3-carboxamide
Compound characteristics
| Compound ID: | V027-8836 |
| Compound Name: | 1-(2,3-dimethylphenyl)-4-methyl-5-[4-nitro-2-(pyrrolidine-1-sulfonyl)phenoxy]-N-{[3-(trifluoromethyl)phenyl]methyl}-1H-pyrazole-3-carboxamide |
| Molecular Weight: | 657.67 |
| Molecular Formula: | C31 H30 F3 N5 O6 S |
| Salt: | not_available |
| Smiles: | Cc1cccc(c1C)n1c(c(C)c(C(NCc2cccc(c2)C(F)(F)F)=O)n1)Oc1ccc(cc1S(N1CCCC1)(=O)=O)[N+]([O-])=O |
| Stereo: | ACHIRAL |
| logP: | 6.4119 |
| logD: | 6.4119 |
| logSw: | -5.7824 |
| Hydrogen bond acceptors count: | 13 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 110.771 |
| InChI Key: | LIBOVMZNOUNLBY-UHFFFAOYSA-N |