4-methyl-5-[4-nitro-2-(pyrrolidine-1-sulfonyl)phenoxy]-1-(propan-2-yl)-N-{[3-(trifluoromethyl)phenyl]methyl}-1H-pyrazole-3-carboxamide
Chemical Structure Depiction of
4-methyl-5-[4-nitro-2-(pyrrolidine-1-sulfonyl)phenoxy]-1-(propan-2-yl)-N-{[3-(trifluoromethyl)phenyl]methyl}-1H-pyrazole-3-carboxamide
4-methyl-5-[4-nitro-2-(pyrrolidine-1-sulfonyl)phenoxy]-1-(propan-2-yl)-N-{[3-(trifluoromethyl)phenyl]methyl}-1H-pyrazole-3-carboxamide
Compound characteristics
| Compound ID: | V029-9402 |
| Compound Name: | 4-methyl-5-[4-nitro-2-(pyrrolidine-1-sulfonyl)phenoxy]-1-(propan-2-yl)-N-{[3-(trifluoromethyl)phenyl]methyl}-1H-pyrazole-3-carboxamide |
| Molecular Weight: | 595.6 |
| Molecular Formula: | C26 H28 F3 N5 O6 S |
| Salt: | not_available |
| Smiles: | CC(C)n1c(c(C)c(C(NCc2cccc(c2)C(F)(F)F)=O)n1)Oc1ccc(cc1S(N1CCCC1)(=O)=O)[N+]([O-])=O |
| Stereo: | ACHIRAL |
| logP: | 4.7593 |
| logD: | 4.7593 |
| logSw: | -4.6587 |
| Hydrogen bond acceptors count: | 13 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 111.676 |
| InChI Key: | ANUHAZHZHJFWTK-UHFFFAOYSA-N |