ChemSpider 2D Image | (1R,2R)-N-[(2S,3S)-2-Amino-3-methylpentyl]-N-(4-biphenylyl)-2-(3,4-difluorophenyl)cyclopropanecarboxamide | C28H30F2N2O

(1R,2R)-N-[(2S,3S)-2-Amino-3-methylpentyl]-N-(4-biphenylyl)-2-(3,4-difluorophenyl)cyclopropanecarboxamide

  • Molecular FormulaC28H30F2N2O
  • Average mass448.547 Da
  • Monoisotopic mass448.232605 Da
  • ChemSpider ID58992575
  • defined stereocentres - 4 of 4 defined stereocentres


More details:






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

(1R,2R)-N-[(2S,3S)-2-Amino-3-methylpentyl]-N-(4-biphenylyl)-2-(3,4-difluorophenyl)cyclopropanecarboxamide [ACD/IUPAC Name]
(1R,2R)-N-[(2S,3S)-2-Amino-3-méthylpentyl]-N-(4-biphénylyl)-2-(3,4-difluorophényl)cyclopropanecarboxamide [French] [ACD/IUPAC Name]
(1R,2R)-N-[(2S,3S)-2-Amino-3-methylpentyl]-N-(4-biphenylyl)-2-(3,4-difluorphenyl)cyclopropancarboxamid [German] [ACD/IUPAC Name]
Cyclopropanecarboxamide, N-[(2S,3S)-2-amino-3-methylpentyl]-N-[1,1'-biphenyl]-4-yl-2-(3,4-difluorophenyl)-, (1R,2R)- [ACD/Index Name]

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

Density: 1.2±0.1 g/cm3
Boiling Point: 579.1±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.6 mmHg at 25°C
Enthalpy of Vaporization: 86.7±3.0 kJ/mol
Flash Point: 304.1±30.1 °C
Index of Refraction: 1.598
Molar Refractivity: 127.9±0.3 cm3
#H bond acceptors: 3
#H bond donors: 2
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 1
ACD/LogP: 5.59
ACD/LogD (pH 5.5): 1.82
ACD/BCF (pH 5.5): 2.62
ACD/KOC (pH 5.5): 9.39
ACD/LogD (pH 7.4): 2.76
ACD/BCF (pH 7.4): 22.87
ACD/KOC (pH 7.4): 82.04
Polar Surface Area: 46 Å2
Polarizability: 50.7±0.5 10-24cm3
Surface Tension: 48.2±3.0 dyne/cm
Molar Volume: 375.2±3.0 cm3

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