ChemSpider 2D Image | N-(2-{4'-[(3S,4R)-4-(3,4-Difluorophenyl)-4-hydroxy-3-piperidinyl]-3'-methyl-2-biphenylyl}ethyl)acetamide | C28H30F2N2O2

N-(2-{4'-[(3S,4R)-4-(3,4-Difluorophenyl)-4-hydroxy-3-piperidinyl]-3'-methyl-2-biphenylyl}ethyl)acetamide

  • Molecular FormulaC28H30F2N2O2
  • Average mass464.547 Da
  • Monoisotopic mass464.227539 Da
  • ChemSpider ID28496759

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

Acetamide, N-[2-[4'-[(3S,4R)-4-(3,4-difluorophenyl)-4-hydroxy-3-piperidinyl]-3'-methyl[1,1'-biphenyl]-2-yl]ethyl]- [ACD/Index Name]
N-(2-{4'-[(3S,4R)-4-(3,4-Difluorophenyl)-4-hydroxy-3-piperidinyl]-3'-methyl-2-biphenylyl}ethyl)acetamide [ACD/IUPAC Name]
N-(2-{4'-[(3S,4R)-4-(3,4-Difluorophényl)-4-hydroxy-3-pipéridinyl]-3'-méthyl-2-biphénylyl}éthyl)acétamide [French] [ACD/IUPAC Name]
N-(2-{4'-[(3S,4R)-4-(3,4-Difluorphenyl)-4-hydroxy-3-piperidinyl]-3'-methyl-2-biphenylyl}ethyl)acetamid [German] [ACD/IUPAC 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: 666.7±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.1 mmHg at 25°C
Enthalpy of Vaporization: 103.0±3.0 kJ/mol
Flash Point: 357.0±31.5 °C
Index of Refraction: 1.577
Molar Refractivity: 128.6±0.3 cm3
#H bond acceptors: 4
#H bond donors: 3
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 0
ACD/LogP: 4.31
ACD/LogD (pH 5.5): 1.34
ACD/BCF (pH 5.5): 1.22
ACD/KOC (pH 5.5): 5.97
ACD/LogD (pH 7.4): 2.78
ACD/BCF (pH 7.4): 33.88
ACD/KOC (pH 7.4): 165.92
Polar Surface Area: 61 Å2
Polarizability: 51.0±0.5 10-24cm3
Surface Tension: 45.1±3.0 dyne/cm
Molar Volume: 388.0±3.0 cm3

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