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
Available: 28 mg
Amount:
mg
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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
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