ChemSpider 2D Image | CP-654577 | C34H32N4O3

CP-654577

  • Molecular FormulaC34H32N4O3
  • Average mass544.643 Da
  • Monoisotopic mass544.247437 Da
  • ChemSpider ID32701367

  • defined stereocentres - 3 of 3 defined stereocentres

More details:

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

[(1R,5S,6r)-3-(4-{4-[(3-Methoxy-4-phenoxyphenyl)amino]-6-chinazolinyl}benzyl)-3-azabicyclo[3.1.0]hex-6-yl]methanol [German] [ACD/IUPAC Name]
[(1R,5S,6r)-3-(4-{4-[(3-Methoxy-4-phenoxyphenyl)amino]-6-quinazolinyl}benzyl)-3-azabicyclo[3.1.0]hex-6-yl]methanol [ACD/IUPAC Name]
[(1R,5S,6r)-3-(4-{4-[(3-Méthoxy-4-phénoxyphényl)amino]-6-quinazolinyl}benzyl)-3-azabicyclo[3.1.0]hex-6-yl]méthanol [French] [ACD/IUPAC Name]
3-Azabicyclo[3.1.0]hexane-6-methanol, 3-[[4-[4-[(3-methoxy-4-phenoxyphenyl)amino]-6-quinazolinyl]phenyl]methyl]-, (1R,5S)- [ACD/Index Name]
639087-64-2 [RN]
CP-654577
W39547M0FP
[(1R,5S)-3-[[4-[4-(3-methoxy-4-phenoxyanilino)quinazolin-6-yl]phenyl]methyl]-3-azabicyclo[3.1.0]hexan-6-yl]methanol
3-Azabicyclo(3.1.0)hexane-6-methanol, 3-((4-(4-((3-methoxy-4-phenoxyphenyl)amino)-6-quinazolinyl)phenyl)methyl)-, (1α,5α,6α)-
UNII:W39547M0FP
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Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

Density: 1.3±0.1 g/cm3
Boiling Point: 695.5±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.3 mmHg at 25°C
Enthalpy of Vaporization: 107.0±3.0 kJ/mol
Flash Point: 374.4±31.5 °C
Index of Refraction: 1.690
Molar Refractivity: 161.2±0.3 cm3
#H bond acceptors: 7
#H bond donors: 2
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 1
ACD/LogP: 4.52
ACD/LogD (pH 5.5): 1.75
ACD/BCF (pH 5.5): 2.10
ACD/KOC (pH 5.5): 7.20
ACD/LogD (pH 7.4): 3.41
ACD/BCF (pH 7.4): 98.43
ACD/KOC (pH 7.4): 336.84
Polar Surface Area: 80 Å2
Polarizability: 63.9±0.5 10-24cm3
Surface Tension: 61.6±3.0 dyne/cm
Molar Volume: 421.9±3.0 cm3

Click to predict properties on the Chemicalize site


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