ChemSpider 2D Image | [(1R,4Z)-4-({4-[(5-Cyclopropyl-1H-pyrazol-3-yl)amino]-2-quinazolinyl}imino)-2,5-cyclohexadien-1-yl]acetonitrile | C22H19N7

[(1R,4Z)-4-({4-[(5-Cyclopropyl-1H-pyrazol-3-yl)amino]-2-quinazolinyl}imino)-2,5-cyclohexadien-1-yl]acetonitrile

  • Molecular FormulaC22H19N7
  • Average mass381.433 Da
  • Monoisotopic mass381.170197 Da
  • ChemSpider ID59053786

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 1 of 1 defined stereocentres

More details:

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

[(1R,4Z)-4-({4-[(5-Cyclopropyl-1H-pyrazol-3-yl)amino]-2-chinazolinyl}imino)-2,5-cyclohexadien-1-yl]acetonitril [German] [ACD/IUPAC Name]
[(1R,4Z)-4-({4-[(5-Cyclopropyl-1H-pyrazol-3-yl)amino]-2-quinazolinyl}imino)-2,5-cyclohexadien-1-yl]acetonitrile [ACD/IUPAC Name]
[(1R,4Z)-4-({4-[(5-Cyclopropyl-1H-pyrazol-3-yl)amino]-2-quinazolinyl}imino)-2,5-cyclohexadién-1-yl]acétonitrile [French] [ACD/IUPAC Name]
2,5-Cyclohexadiene-1-acetonitrile, 4-[[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-2-quinazolinyl]imino]-, (1R,4Z)- [ACD/Index Name]

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

Density: 1.4±0.1 g/cm3
Boiling Point: 717.0±70.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.3 mmHg at 25°C
Enthalpy of Vaporization: 104.8±3.0 kJ/mol
Flash Point: 387.4±35.7 °C
Index of Refraction: 1.767
Molar Refractivity: 111.4±0.5 cm3
#H bond acceptors: 7
#H bond donors: 2
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 0
ACD/LogP: 2.36
ACD/LogD (pH 5.5): 2.03
ACD/BCF (pH 5.5): 10.45
ACD/KOC (pH 5.5): 83.61
ACD/LogD (pH 7.4): 3.17
ACD/BCF (pH 7.4): 145.62
ACD/KOC (pH 7.4): 1165.52
Polar Surface Area: 103 Å2
Polarizability: 44.2±0.5 10-24cm3
Surface Tension: 62.2±7.0 dyne/cm
Molar Volume: 269.0±7.0 cm3

Click to predict properties on the Chemicalize site


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