4-{[(1,5-dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)imino]methyl}-2-nitrophenyl 3-methylbenzoate
Chemical Structure Depiction of
4-{[(1,5-dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)imino]methyl}-2-nitrophenyl 3-methylbenzoate
4-{[(1,5-dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)imino]methyl}-2-nitrophenyl 3-methylbenzoate
Compound characteristics
| Compound ID: | 8003-6570 |
| Compound Name: | 4-{[(1,5-dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)imino]methyl}-2-nitrophenyl 3-methylbenzoate |
| Molecular Weight: | 470.48 |
| Molecular Formula: | C26 H22 N4 O5 |
| Smiles: | CC1=C(C(N(c2ccccc2)N1C)=O)/N=C/c1ccc(c(c1)[N+]([O-])=O)OC(c1cccc(C)c1)=O |
| Stereo: | ACHIRAL |
| logP: | 3.4593 |
| logD: | 3.4593 |
| logSw: | -4.0007 |
| Hydrogen bond acceptors count: | 10 |
| Polar surface area: | 82.292 |
| InChI Key: | PVQQRMKYIBRTKM-UHFFFAOYSA-N |