5-methyl-2-[4-(3-nitrophenyl)-1,3-thiazol-2-yl]-4-{2-[2-(trifluoromethyl)phenyl]hydrazinylidene}-2,4-dihydro-3H-pyrazol-3-one
Chemical Structure Depiction of
5-methyl-2-[4-(3-nitrophenyl)-1,3-thiazol-2-yl]-4-{2-[2-(trifluoromethyl)phenyl]hydrazinylidene}-2,4-dihydro-3H-pyrazol-3-one
5-methyl-2-[4-(3-nitrophenyl)-1,3-thiazol-2-yl]-4-{2-[2-(trifluoromethyl)phenyl]hydrazinylidene}-2,4-dihydro-3H-pyrazol-3-one
Compound characteristics
| Compound ID: | 1951-2523 |
| Compound Name: | 5-methyl-2-[4-(3-nitrophenyl)-1,3-thiazol-2-yl]-4-{2-[2-(trifluoromethyl)phenyl]hydrazinylidene}-2,4-dihydro-3H-pyrazol-3-one |
| Molecular Weight: | 474.42 |
| Molecular Formula: | C20 H13 F3 N6 O3 S |
| Smiles: | CC1\C(C(N(c2nc(cs2)c2cccc(c2)[N+]([O-])=O)N=1)=O)=N/Nc1ccccc1C(F)(F)F |
| Stereo: | ACHIRAL |
| logP: | 5.955 |
| logD: | 5.955 |
| logSw: | -5.6308 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 87.794 |
| InChI Key: | JHBDKCBFFWBUEN-UHFFFAOYSA-N |