ChemSpider 2D Image | (4S)-4-(2-Amino-6-phenoxy-3(4H)-quinazolinyl)-N,4-dicyclohexyl-N-methylbutanamide | C31H42N4O2

(4S)-4-(2-Amino-6-phenoxy-3(4H)-quinazolinyl)-N,4-dicyclohexyl-N-methylbutanamide

  • Molecular FormulaC31H42N4O2
  • Average mass502.691 Da
  • Monoisotopic mass502.330780 Da
  • ChemSpider ID20572546

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

(4S)-4-(2-Amino-6-phenoxy-3(4H)-chinazolinyl)-N,4-dicyclohexyl-N-methylbutanamid [German] [ACD/IUPAC Name]
(4S)-4-(2-Amino-6-phenoxy-3(4H)-quinazolinyl)-N,4-dicyclohexyl-N-methylbutanamide [ACD/IUPAC Name]
(4S)-4-(2-Amino-6-phénoxy-3(4H)-quinazolinyl)-N,4-dicyclohexyl-N-méthylbutanamide [French] [ACD/IUPAC Name]
(4s)-4-(2-Amino-6-Phenoxyquinazolin-3(4h)-Yl)-N,4-Dicyclohexyl-N-Methylbutanamide
3(4H)-Quinazolinebutanamide, 2-amino-N,γ-dicyclohexyl-N-methyl-6-phenoxy-, (γS)- [ACD/Index Name]
(S)-4-(2-amino-6-phenoxyquinazolin-3(4H)-yl)-N,4-dicyclohexyl-N-methylbutanamide
(γS)-2-AMINO-N,γ-DICYCLOHEXYL-N-METHYL-6-PHENOXY-3(4H)-QUINAZOLINEBUTANAMIDE
2-aminoquinazoline, 3a
3(4H)-QuinazolinebutanaMide, 2-aMino-N,g-dicyclohexyl-N-Methyl-6-phenoxy-, (gS)-;BACE-1 inhibitor
3(4H)-Quinazolinebutanamide, 2-amino-N,γ-dicyclohexyl-N-methyl-6-phenoxy-, (γS)-

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

Density: 1.2±0.1 g/cm3
Boiling Point: 682.2±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.1 mmHg at 25°C
Enthalpy of Vaporization: 100.1±3.0 kJ/mol
Flash Point: 366.4±34.3 °C
Index of Refraction: 1.631
Molar Refractivity: 147.6±0.5 cm3
#H bond acceptors: 6
#H bond donors: 2
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 2
ACD/LogP: 5.80
ACD/LogD (pH 5.5): 3.69
ACD/BCF (pH 5.5): 160.30
ACD/KOC (pH 5.5): 476.24
ACD/LogD (pH 7.4): 5.03
ACD/BCF (pH 7.4): 3438.76
ACD/KOC (pH 7.4): 10216.39
Polar Surface Area: 71 Å2
Polarizability: 58.5±0.5 10-24cm3
Surface Tension: 47.8±7.0 dyne/cm
Molar Volume: 414.4±7.0 cm3

Click to predict properties on the Chemicalize site


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