4-{[(1,5-dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)imino]methyl}-2-nitrophenyl benzoate
Chemical Structure Depiction of
4-{[(1,5-dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)imino]methyl}-2-nitrophenyl benzoate
4-{[(1,5-dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)imino]methyl}-2-nitrophenyl benzoate
Compound characteristics
| Compound ID: | 8005-4011 |
| Compound Name: | 4-{[(1,5-dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)imino]methyl}-2-nitrophenyl benzoate |
| Molecular Weight: | 456.46 |
| Molecular Formula: | C25 H20 N4 O5 |
| Smiles: | CC1=C(C(N(c2ccccc2)N1C)=O)/N=C/c1ccc(c(c1)[N+]([O-])=O)OC(c1ccccc1)=O |
| Stereo: | ACHIRAL |
| logP: | 3.1034 |
| logD: | 3.1034 |
| logSw: | -3.6023 |
| Hydrogen bond acceptors count: | 10 |
| Polar surface area: | 82.292 |
| InChI Key: | UXENZVMAYDKNAL-UHFFFAOYSA-N |