ChemSpider 2D Image | N'-{(2S,3S,5R)-3-Amino-6-[(4-fluorophenyl)amino]-5-methyl-6-oxo-1-phenyl-2-hexanyl}-N,N-dipropylisophthalamide | C33H41FN4O3

N'-{(2S,3S,5R)-3-Amino-6-[(4-fluorophenyl)amino]-5-methyl-6-oxo-1-phenyl-2-hexanyl}-N,N-dipropylisophthalamide

  • Molecular FormulaC33H41FN4O3
  • Average mass560.702 Da
  • Monoisotopic mass560.316284 Da
  • ChemSpider ID4591872
  • defined stereocentres - 3 of 3 defined stereocentres


More details:






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

1,3-Benzenedicarboxamide, N3-[(1S,2S,4R)-2-amino-5-[(4-fluorophenyl)amino]-4-methyl-5-oxo-1-(phenylmethyl)pentyl]-N1,N1-dipropyl- [ACD/Index Name]
N'-{(2S,3S,5R)-3-Amino-6-[(4-fluorophényl)amino]-5-méthyl-6-oxo-1-phényl-2-hexanyl}-N,N-dipropylisophtalamide [French] [ACD/IUPAC Name]
N'-{(2S,3S,5R)-3-Amino-6-[(4-fluorophenyl)amino]-5-methyl-6-oxo-1-phenyl-2-hexanyl}-N,N-dipropylisophthalamide [ACD/IUPAC Name]
N'-{(2S,3S,5R)-3-Amino-6-[(4-fluorphenyl)amino]-5-methyl-6-oxo-1-phenyl-2-hexanyl}-N,N-dipropylisophthalamid [German] [ACD/IUPAC Name]
N1-((2s,3s,5r)-3-Amino-6-(4-Fluorophenylamino)-5-Methyl-6-Oxo-1-Phenylhexan-2-Yl)-N3,N3-Dipropylisophthalamide
Aminoethylene (AE) compound 7
FRP

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.2±0.1 g/cm3
Boiling Point: 796.9±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.8 mmHg at 25°C
Enthalpy of Vaporization: 115.9±3.0 kJ/mol
Flash Point: 435.7±32.9 °C
Index of Refraction: 1.587
Molar Refractivity: 161.7±0.3 cm3
#H bond acceptors: 7
#H bond donors: 4
#Freely Rotating Bonds: 14
#Rule of 5 Violations: 1
ACD/LogP: 4.79
ACD/LogD (pH 5.5): 0.75
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 2.61
ACD/LogD (pH 7.4): 1.98
ACD/BCF (pH 7.4): 7.10
ACD/KOC (pH 7.4): 44.55
Polar Surface Area: 105 Å2
Polarizability: 64.1±0.5 10-24cm3
Surface Tension: 48.5±3.0 dyne/cm
Molar Volume: 480.8±3.0 cm3

Click to predict properties on the Chemicalize site






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