ChemSpider 2D Image | 2-Methyl-2-propanyl [(2S)-1-{[(3R,5R)-8-methyl-1-{2-[(2-methyl-2-propanyl)amino]-2-oxoethyl}-2-oxo-5-phenyl-2,3,4,5-tetrahydro-1H-1-benzazepin-3-yl]amino}-1-oxo-3-phenyl-2-propanyl]carbamate | C37H46N4O5

2-Methyl-2-propanyl [(2S)-1-{[(3R,5R)-8-methyl-1-{2-[(2-methyl-2-propanyl)amino]-2-oxoethyl}-2-oxo-5-phenyl-2,3,4,5-tetrahydro-1H-1-benzazepin-3-yl]amino}-1-oxo-3-phenyl-2-propanyl]carbamate

  • Molecular FormulaC37H46N4O5
  • Average mass626.785 Da
  • Monoisotopic mass626.346802 Da
  • ChemSpider ID8637035

  • defined stereocentres - 3 of 3 defined stereocentres

More details:

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

[(2S)-1-{[(3R,5R)-8-Méthyl-1-{2-[(2-méthyl-2-propanyl)amino]-2-oxoéthyl}-2-oxo-5-phényl-2,3,4,5-tétrahydro-1H-1-benzazépin-3-yl]amino}-1-oxo-3-phényl-2-propanyl]carbamate de 2-méthyl-2-propanyle [French] [ACD/IUPAC Name]
2-Methyl-2-propanyl [(2S)-1-{[(3R,5R)-8-methyl-1-{2-[(2-methyl-2-propanyl)amino]-2-oxoethyl}-2-oxo-5-phenyl-2,3,4,5-tetrahydro-1H-1-benzazepin-3-yl]amino}-1-oxo-3-phenyl-2-propanyl]carbamate [ACD/IUPAC Name]
2-Methyl-2-propanyl-[(2S)-1-{[(3R,5R)-8-methyl-1-{2-[(2-methyl-2-propanyl)amino]-2-oxoethyl}-2-oxo-5-phenyl-2,3,4,5-tetrahydro-1H-1-benzazepin-3-yl]amino}-1-oxo-3-phenyl-2-propanyl]carbamat [German] [ACD/IUPAC Name]
Carbamic acid, N-[(1S)-2-[[(3R,5R)-1-[2-[(1,1-dimethylethyl)amino]-2-oxoethyl]-2,3,4,5-tetrahydro-8-methyl-2-oxo-5-phenyl-1H-1-benzazepin-3-yl]amino]-2-oxo-1-(phenylmethyl)ethyl]-, 1,1-dimethylethyl e ster [ACD/Index Name]

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

Density: 1.2±0.1 g/cm3
Boiling Point: 881.1±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 128.1±3.0 kJ/mol
Flash Point: 486.7±34.3 °C
Index of Refraction: 1.602
Molar Refractivity: 179.1±0.4 cm3
#H bond acceptors: 9
#H bond donors: 3
#Freely Rotating Bonds: 11
#Rule of 5 Violations: 2
ACD/LogP: 6.10
ACD/LogD (pH 5.5): 5.27
ACD/BCF (pH 5.5): 5931.45
ACD/KOC (pH 5.5): 17475.10
ACD/LogD (pH 7.4): 5.27
ACD/BCF (pH 7.4): 5930.04
ACD/KOC (pH 7.4): 17470.96
Polar Surface Area: 117 Å2
Polarizability: 71.0±0.5 10-24cm3
Surface Tension: 54.5±5.0 dyne/cm
Molar Volume: 521.8±5.0 cm3

Click to predict properties on the Chemicalize site


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