3-{[(1,5-dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)imino]methyl}phenyl 3,5-dinitrobenzoate
Chemical Structure Depiction of
3-{[(1,5-dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)imino]methyl}phenyl 3,5-dinitrobenzoate
3-{[(1,5-dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)imino]methyl}phenyl 3,5-dinitrobenzoate
Compound characteristics
Compound ID: | 8005-4069 |
Compound Name: | 3-{[(1,5-dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)imino]methyl}phenyl 3,5-dinitrobenzoate |
Molecular Weight: | 501.45 |
Molecular Formula: | C25 H19 N5 O7 |
Smiles: | CC1=C(C(N(c2ccccc2)N1C)=O)/N=C/c1cccc(c1)OC(c1cc(cc(c1)[N+]([O-])=O)[N+]([O-])=O)=O |
Stereo: | ACHIRAL |
logP: | 3.0787 |
logD: | 3.0787 |
logSw: | -3.5756 |
Hydrogen bond acceptors count: | 14 |
Polar surface area: | 115.888 |
InChI Key: | WUCRXTOQLVLEEJ-UHFFFAOYSA-N |