ChemSpider 2D Image | N'-{(2S,3S)-1,1-Difluoro-3-hydroxy-4-[(3-iodobenzyl)amino]-1-phenyl-2-butanyl}-5-methyl-N,N-dipropylisophthalamide | C32H38F2IN3O3

N'-{(2S,3S)-1,1-Difluoro-3-hydroxy-4-[(3-iodobenzyl)amino]-1-phenyl-2-butanyl}-5-methyl-N,N-dipropylisophthalamide

  • Molecular FormulaC32H38F2IN3O3
  • Average mass677.564 Da
  • Monoisotopic mass677.192566 Da
  • ChemSpider ID34519192

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

1,3-Benzenedicarboxamide, N3-[(1S,2S)-1-(difluorophenylmethyl)-2-hydroxy-3-[[(3-iodophenyl)methyl]amino]propyl]-5-methyl-N1,N1-dipropyl- [ACD/Index Name]
N'-{(2S,3S)-1,1-Difluor-3-hydroxy-4-[(3-iodbenzyl)amino]-1-phenyl-2-butanyl}-5-methyl-N,N-dipropylisophthalamid [German] [ACD/IUPAC Name]
N'-{(2S,3S)-1,1-Difluoro-3-hydroxy-4-[(3-iodobenzyl)amino]-1-phényl-2-butanyl}-5-méthyl-N,N-dipropylisophtalamide [French] [ACD/IUPAC Name]
N'-{(2S,3S)-1,1-Difluoro-3-hydroxy-4-[(3-iodobenzyl)amino]-1-phenyl-2-butanyl}-5-methyl-N,N-dipropylisophthalamide [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: 806.2±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.0 mmHg at 25°C
Enthalpy of Vaporization: 122.9±3.0 kJ/mol
Flash Point: 441.4±34.3 °C
Index of Refraction: 1.589
Molar Refractivity: 167.0±0.3 cm3
#H bond acceptors: 6
#H bond donors: 3
#Freely Rotating Bonds: 14
#Rule of 5 Violations: 2
ACD/LogP: 8.34
ACD/LogD (pH 5.5): 4.07
ACD/BCF (pH 5.5): 237.96
ACD/KOC (pH 5.5): 469.04
ACD/LogD (pH 7.4): 5.70
ACD/BCF (pH 7.4): 10212.61
ACD/KOC (pH 7.4): 20130.14
Polar Surface Area: 82 Å2
Polarizability: 66.2±0.5 10-24cm3
Surface Tension: 46.9±3.0 dyne/cm
Molar Volume: 495.7±3.0 cm3

Click to predict properties on the Chemicalize site


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