4-methyl-1-(4-methylphenyl)-5-[2-(morpholine-4-sulfonyl)-4-nitrophenoxy]-N-{[3-(trifluoromethyl)phenyl]methyl}-1H-pyrazole-3-carboxamide
Chemical Structure Depiction of
4-methyl-1-(4-methylphenyl)-5-[2-(morpholine-4-sulfonyl)-4-nitrophenoxy]-N-{[3-(trifluoromethyl)phenyl]methyl}-1H-pyrazole-3-carboxamide
4-methyl-1-(4-methylphenyl)-5-[2-(morpholine-4-sulfonyl)-4-nitrophenoxy]-N-{[3-(trifluoromethyl)phenyl]methyl}-1H-pyrazole-3-carboxamide
Compound characteristics
| Compound ID: | V027-3452 |
| Compound Name: | 4-methyl-1-(4-methylphenyl)-5-[2-(morpholine-4-sulfonyl)-4-nitrophenoxy]-N-{[3-(trifluoromethyl)phenyl]methyl}-1H-pyrazole-3-carboxamide |
| Molecular Weight: | 659.64 |
| Molecular Formula: | C30 H28 F3 N5 O7 S |
| Salt: | not_available |
| Smiles: | Cc1ccc(cc1)n1c(c(C)c(C(NCc2cccc(c2)C(F)(F)F)=O)n1)Oc1ccc(cc1S(N1CCOCC1)(=O)=O)[N+]([O-])=O |
| Stereo: | ACHIRAL |
| logP: | 5.2816 |
| logD: | 5.2816 |
| logSw: | -5.368 |
| Hydrogen bond acceptors count: | 14 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 118.615 |
| InChI Key: | NZKKXWBROPCCHU-UHFFFAOYSA-N |