ChemSpider 2D Image | N-[1-(3-Fluorobenzyl)-1H-indazol-5-yl]-5-{(E)-[(2-methoxyethoxy)imino]methyl}-4,6-pyrimidinediamine | C22H22FN7O2

N-[1-(3-Fluorobenzyl)-1H-indazol-5-yl]-5-{(E)-[(2-methoxyethoxy)imino]methyl}-4,6-pyrimidinediamine

  • Molecular FormulaC22H22FN7O2
  • Average mass435.454 Da
  • Monoisotopic mass435.181915 Da
  • ChemSpider ID22378036

  • Double-bond stereo - Double-bond stereo

More details:

Validated by Experts, Validated by Users, Non-Validated, Removed by Users

4-Amino-6-{[1-(3-Fluorobenzyl)-1h-Indazol-5-Yl]amino}pyrimidine-5-Carbaldehyde O-(2-Methoxyethyl)oxime
5-pyrimidinecarboxaldehyde, 4-amino-6-[[1-[(3-fluorophenyl)methyl]-1H-indazol-5-yl]amino]-, O-(2-methoxyethyl)oxime [ACD/Index Name]
N-[1-(3-Fluorbenzyl)-1H-indazol-5-yl]-5-{(E)-[(2-methoxyethoxy)imino]methyl}-4,6-pyrimidindiamin [German] [ACD/IUPAC Name]
N-[1-(3-Fluorobenzyl)-1H-indazol-5-yl]-5-{(E)-[(2-methoxyethoxy)imino]methyl}-4,6-pyrimidinediamine [ACD/IUPAC Name]
N-[1-(3-Fluorobenzyl)-1H-indazol-5-yl]-5-{(E)-[(2-méthoxyéthoxy)imino]méthyl}-4,6-pyrimidinediamine [French] [ACD/IUPAC Name]
N-[1-(3-fluorobenzyl)-1H-indazol-5-yl]-5-{(E)-[(2-methoxyethoxy)imino]methyl}pyrimidine-4,6-diamine
(E)-4-amino-6-((1-(3-fluorobenzyl)-1H-indazol-5-yl)amino)pyrimidine-5-carbaldehyde O-(2-methoxyethyl) oxime
1044506-82-2 [RN]
4-(1-(3-fluorobenzyl)-1H-indazol-5-ylamino)-6-aminopyrimidine-5-carbaldehyde O-2-methoxyethyl oxime
5-PyriMidinecarboxaldehyde, 4-aMino-6-[[1-[(3-fluorophenyl)Methyl]-1H-indazol-5-yl]aMino]-, O-(2-Methoxyethyl)oxiMe, [C(E)]-
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Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

Density: 1.4±0.1 g/cm3
Boiling Point: 644.5±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.9 mmHg at 25°C
Enthalpy of Vaporization: 95.1±3.0 kJ/mol
Flash Point: 343.6±34.3 °C
Index of Refraction: 1.658
Molar Refractivity: 117.3±0.5 cm3
#H bond acceptors: 9
#H bond donors: 3
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 1
ACD/LogP: 6.27
ACD/LogD (pH 5.5): 4.18
ACD/BCF (pH 5.5): 836.18
ACD/KOC (pH 5.5): 4043.96
ACD/LogD (pH 7.4): 4.27
ACD/BCF (pH 7.4): 1033.92
ACD/KOC (pH 7.4): 5000.31
Polar Surface Area: 112 Å2
Polarizability: 46.5±0.5 10-24cm3
Surface Tension: 52.1±7.0 dyne/cm
Molar Volume: 318.5±7.0 cm3

Click to predict properties on the Chemicalize site


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