ChemSpider 2D Image | (2R)-N-[(3S,4S)-1-benzyl-4-[[2-(2,6-dimethylphenoxy)acetyl]amino]-3-hydroxy-5-phenyl-pentyl]-3-methyl-2-(2-oxohexahydropyrimidin-1-yl)butanamide | C37H48N4O5

(2R)-N-[(3S,4S)-1-benzyl-4-[[2-(2,6-dimethylphenoxy)acetyl]amino]-3-hydroxy-5-phenyl-pentyl]-3-methyl-2-(2-oxohexahydropyrimidin-1-yl)butanamide

  • Molecular FormulaC37H48N4O5
  • Average mass628.801 Da
  • Monoisotopic mass628.362488 Da
  • ChemSpider ID24539964

  • defined stereocentres - 3 of 4 defined stereocentres

More details:

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

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

Density: 1.2±0.1 g/cm3
Boiling Point: 924.2±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 140.8±3.0 kJ/mol
Flash Point: 512.7±34.3 °C
Index of Refraction: 1.577
Molar Refractivity: 179.2±0.3 cm3
#H bond acceptors: 9
#H bond donors: 4
#Freely Rotating Bonds: 15
#Rule of 5 Violations: 2
ACD/LogP: 6.26
ACD/LogD (pH 5.5): 5.24
ACD/BCF (pH 5.5): 5653.90
ACD/KOC (pH 5.5): 16885.85
ACD/LogD (pH 7.4): 5.24
ACD/BCF (pH 7.4): 5653.90
ACD/KOC (pH 7.4): 16885.85
Polar Surface Area: 120 Å2
Polarizability: 71.0±0.5 10-24cm3
Surface Tension: 49.5±3.0 dyne/cm
Molar Volume: 540.5±3.0 cm3

Click to predict properties on the Chemicalize site


Advertisement