ChemSpider 2D Image | 4-[(5E)-4-Amino-5-(7-methoxy-2H-indol-2-ylidene)-1,5-dihydroimidazo[5,1-f][1,2,4]triazin-7-yl]cyclohexanecarboxylic acid | C21H22N6O3

4-[(5E)-4-Amino-5-(7-methoxy-2H-indol-2-ylidene)-1,5-dihydroimidazo[5,1-f][1,2,4]triazin-7-yl]cyclohexanecarboxylic acid

  • Molecular FormulaC21H22N6O3
  • Average mass406.438 Da
  • Monoisotopic mass406.175354 Da
  • ChemSpider ID57448142
  • Double-bond stereo - Double-bond stereo


More details:






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

4-[(5E)-4-Amino-5-(7-methoxy-2H-indol-2-yliden)-1,5-dihydroimidazo[5,1-f][1,2,4]triazin-7-yl]cyclohexancarbonsäure [German] [ACD/IUPAC Name]
4-[(5E)-4-Amino-5-(7-methoxy-2H-indol-2-ylidene)-1,5-dihydroimidazo[5,1-f][1,2,4]triazin-7-yl]cyclohexanecarboxylic acid [ACD/IUPAC Name]
Acide 4-[(5E)-4-amino-5-(7-méthoxy-2H-indol-2-ylidène)-1,5-dihydroimidazo[5,1-f][1,2,4]triazin-7-yl]cyclohexanecarboxylique [French] [ACD/IUPAC Name]
Cyclohexanecarboxylic acid, 4-[(5E)-4-amino-1,5-dihydro-5-(7-methoxy-2H-indol-2-ylidene)imidazo[5,1-f][1,2,4]triazin-7-yl]- [ACD/Index Name]
[936890-98-1]
4-[4-amino-5-(7-methoxy-2-indolylidene)-1H-imidazo[5,1-f][1,2,4]triazin-7-yl]-1-cyclohexanecarboxylic acid
4-[4-AMINO-5-(7-METHOXYINDOL-2-YLIDENE)-1H-IMIDAZO[4,3-F][1,2,4]TRIAZIN-7-YL]CYCLOHEXANE-1-CARBOXYLIC ACID
936890-98-1 [RN]
OSI-027
trans-4-[4-Amino-5-(7-methoxy-1H-indol-2-yl)imidazo[5,1-f][1,2,4]triazin-7-yl]cyclohexanecarboxylic acid [ACD/IUPAC Name]

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.6±0.1 g/cm3
Boiling Point: 591.4±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.6 mmHg at 25°C
Enthalpy of Vaporization: 96.4±6.0 kJ/mol
Flash Point: 311.5±32.9 °C
Index of Refraction: 1.788
Molar Refractivity: 107.6±0.5 cm3
#H bond acceptors: 9
#H bond donors: 4
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 0
ACD/LogP: -0.37
ACD/LogD (pH 5.5): -2.91
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -2.40
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 125 Å2
Polarizability: 42.6±0.5 10-24cm3
Surface Tension: 69.4±7.0 dyne/cm
Molar Volume: 254.4±7.0 cm3

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