ChemSpider 2D Image | N-[3-(6-{[(7R)-7-Hydroxy-5,6,7,8-tetrahydro-1-naphthalenyl]amino}-4-pyrimidinyl)-6-(trifluoromethyl)-2-pyridinyl]-L-phenylalanine | C29H26F3N5O3

N-[3-(6-{[(7R)-7-Hydroxy-5,6,7,8-tetrahydro-1-naphthalenyl]amino}-4-pyrimidinyl)-6-(trifluoromethyl)-2-pyridinyl]-L-phenylalanine

  • Molecular FormulaC29H26F3N5O3
  • Average mass549.544 Da
  • Monoisotopic mass549.198792 Da
  • ChemSpider ID10126579

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

L-Phenylalanine, N-[3-[6-[[(7R)-5,6,7,8-tetrahydro-7-hydroxy-1-naphthalenyl]amino]-4-pyrimidinyl]-6-(trifluoromethyl)-2-pyridinyl]- [ACD/Index Name]
N-[3-(6-{[(7R)-7-Hydroxy-5,6,7,8-tétrahydro-1-naphtalényl]amino}-4-pyrimidinyl)-6-(trifluorométhyl)-2-pyridinyl]-L-phénylalanine [French] [ACD/IUPAC Name]
N-[3-(6-{[(7R)-7-Hydroxy-5,6,7,8-tetrahydro-1-naphthalenyl]amino}-4-pyrimidinyl)-6-(trifluoromethyl)-2-pyridinyl]-L-phenylalanine [ACD/IUPAC Name]
N-[3-(6-{[(7R)-7-Hydroxy-5,6,7,8-tetrahydro-1-naphthalinyl]amino}-4-pyrimidinyl)-6-(trifluormethyl)-2-pyridinyl]-L-phenylalanin [German] [ACD/IUPAC 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: 751.7±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.6 mmHg at 25°C
Enthalpy of Vaporization: 115.0±3.0 kJ/mol
Flash Point: 408.4±32.9 °C
Index of Refraction: 1.662
Molar Refractivity: 142.7±0.3 cm3
#H bond acceptors: 8
#H bond donors: 4
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 2
ACD/LogP: 6.44
ACD/LogD (pH 5.5): 3.24
ACD/BCF (pH 5.5): 65.20
ACD/KOC (pH 5.5): 220.18
ACD/LogD (pH 7.4): 1.60
ACD/BCF (pH 7.4): 1.49
ACD/KOC (pH 7.4): 5.02
Polar Surface Area: 120 Å2
Polarizability: 56.6±0.5 10-24cm3
Surface Tension: 60.5±3.0 dyne/cm
Molar Volume: 385.9±3.0 cm3

Click to predict properties on the Chemicalize site


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