2-(4-nitrophenyl)-4-[(octylimino)methyl]-5-(trifluoromethyl)-1,2-dihydro-3H-pyrazol-3-one
Chemical Structure Depiction of
2-(4-nitrophenyl)-4-[(octylimino)methyl]-5-(trifluoromethyl)-1,2-dihydro-3H-pyrazol-3-one
2-(4-nitrophenyl)-4-[(octylimino)methyl]-5-(trifluoromethyl)-1,2-dihydro-3H-pyrazol-3-one
Compound characteristics
| Compound ID: | 8007-3038 |
| Compound Name: | 2-(4-nitrophenyl)-4-[(octylimino)methyl]-5-(trifluoromethyl)-1,2-dihydro-3H-pyrazol-3-one |
| Molecular Weight: | 412.41 |
| Molecular Formula: | C19 H23 F3 N4 O3 |
| Smiles: | CCCCCCCC/N=C/C1=C(C(F)(F)F)NN(C1=O)c1ccc(cc1)[N+]([O-])=O |
| Stereo: | ACHIRAL |
| logP: | 5.3275 |
| logD: | -0.5379 |
| logSw: | -5.1539 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 71.547 |
| InChI Key: | SORCEBGLUQUTGT-UHFFFAOYSA-N |