ChemSpider 2D Image | N-(trans-4-{(E)-[4-(Dimethylamino)-2(1H)-quinazolinylidene]amino}cyclohexyl)-3,4-difluorobenzenecarboximidic acid | C23H25F2N5O

N-(trans-4-{(E)-[4-(Dimethylamino)-2(1H)-quinazolinylidene]amino}cyclohexyl)-3,4-difluorobenzenecarboximidic acid

  • Molecular FormulaC23H25F2N5O
  • Average mass425.474 Da
  • Monoisotopic mass425.202728 Da
  • ChemSpider ID57642183

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

Acide N-(trans-4-{(E)-[4-(diméthylamino)-2(1H)-quinazolinylidène]amino}cyclohexyl)-3,4-difluorobenzènecarboximidique [French] [ACD/IUPAC Name]
Benzenecarboximidic acid, N-[trans-4-[[(2E)-4-(dimethylamino)-2(1H)-quinazolinylidene]amino]cyclohexyl]-3,4-difluoro- [ACD/Index Name]
N-(trans-4-{(E)-[4-(Dimethylamino)-2(1H)-chinazolinyliden]amino}cyclohexyl)-3,4-difluorbenzolcarboximidsäure [German] [ACD/IUPAC Name]
N-(trans-4-{(E)-[4-(Dimethylamino)-2(1H)-quinazolinylidene]amino}cyclohexyl)-3,4-difluorobenzenecarboximidic acid [ACD/IUPAC Name]

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

Density: 1.3±0.1 g/cm3
Boiling Point: 587.3±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.7 mmHg at 25°C
Enthalpy of Vaporization: 92.2±3.0 kJ/mol
Flash Point: 309.0±32.9 °C
Index of Refraction: 1.637
Molar Refractivity: 114.7±0.5 cm3
#H bond acceptors: 6
#H bond donors: 2
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 0
ACD/LogP: 4.21
ACD/LogD (pH 5.5): 0.74
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 2.60
ACD/LogD (pH 7.4): 1.55
ACD/BCF (pH 7.4): 2.64
ACD/KOC (pH 7.4): 16.65
Polar Surface Area: 73 Å2
Polarizability: 45.5±0.5 10-24cm3
Surface Tension: 45.0±7.0 dyne/cm
Molar Volume: 319.5±7.0 cm3

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