ChemSpider 2D Image | N-[(2-Benzyl-2-azabicyclo[2.2.2]oct-3-yl)carbonyl]-4-[(3,5-dichloroisonicotinoyl)amino]-L-phenylalanine | C30H30Cl2N4O4

N-[(2-Benzyl-2-azabicyclo[2.2.2]oct-3-yl)carbonyl]-4-[(3,5-dichloroisonicotinoyl)amino]-L-phenylalanine

  • Molecular FormulaC30H30Cl2N4O4
  • Average mass581.490 Da
  • Monoisotopic mass580.164429 Da
  • ChemSpider ID10027034

  • defined stereocentres - 1 of 4 defined stereocentres

More details:

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

L-Phenylalanine, 4-[[(3,5-dichloro-4-pyridinyl)carbonyl]amino]-N-[[2-(phenylmethyl)-2-azabicyclo[2.2.2]oct-3-yl]carbonyl]- [ACD/Index Name]
N-[(2-Benzyl-2-azabicyclo[2.2.2]oct-3-yl)carbonyl]-4-[(3,5-dichlorisonicotinoyl)amino]-L-phenylalanin [German] [ACD/IUPAC Name]
N-[(2-Benzyl-2-azabicyclo[2.2.2]oct-3-yl)carbonyl]-4-[(3,5-dichloroisonicotinoyl)amino]-L-phenylalanine [ACD/IUPAC Name]
N-[(2-Benzyl-2-azabicyclo[2.2.2]oct-3-yl)carbonyl]-4-[(3,5-dichloroisonicotinoyl)amino]-L-phénylalanine [French] [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: 734.2±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.5 mmHg at 25°C
Enthalpy of Vaporization: 112.5±3.0 kJ/mol
Flash Point: 397.8±32.9 °C
Index of Refraction: 1.658
Molar Refractivity: 153.6±0.3 cm3
#H bond acceptors: 8
#H bond donors: 3
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 1
ACD/LogP: 3.56
ACD/LogD (pH 5.5): 1.38
ACD/BCF (pH 5.5): 1.64
ACD/KOC (pH 5.5): 9.69
ACD/LogD (pH 7.4): 1.11
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 5.27
Polar Surface Area: 112 Å2
Polarizability: 60.9±0.5 10-24cm3
Surface Tension: 65.9±3.0 dyne/cm
Molar Volume: 417.1±3.0 cm3

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