ChemSpider 2D Image | 4-[(3,5-Dichloroisonicotinoyl)amino]-N-({2-[(2,5-dimethoxyphenyl)acetyl]-2-azabicyclo[2.2.2]oct-3-yl}carbonyl)-L-phenylalanine | C33H34Cl2N4O7

4-[(3,5-Dichloroisonicotinoyl)amino]-N-({2-[(2,5-dimethoxyphenyl)acetyl]-2-azabicyclo[2.2.2]oct-3-yl}carbonyl)-L-phenylalanine

  • Molecular FormulaC33H34Cl2N4O7
  • Average mass669.552 Da
  • Monoisotopic mass668.180481 Da
  • ChemSpider ID10027349

  • defined stereocentres - 1 of 4 defined stereocentres

More details:

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

4-[(3,5-Dichlorisonicotinoyl)amino]-N-({2-[(2,5-dimethoxyphenyl)acetyl]-2-azabicyclo[2.2.2]oct-3-yl}carbonyl)-L-phenylalanin [German] [ACD/IUPAC Name]
4-[(3,5-Dichloroisonicotinoyl)amino]-N-({2-[(2,5-dimethoxyphenyl)acetyl]-2-azabicyclo[2.2.2]oct-3-yl}carbonyl)-L-phenylalanine [ACD/IUPAC Name]
4-[(3,5-Dichloroisonicotinoyl)amino]-N-({2-[2-(2,5-diméthoxyphényl)acétyl]-2-azabicyclo[2.2.2]oct-3-yl}carbonyl)-L-phénylalanine [French] [ACD/IUPAC Name]
L-Phenylalanine, 4-[[(3,5-dichloro-4-pyridinyl)carbonyl]amino]-N-[[2-[2-(2,5-dimethoxyphenyl)acetyl]-2-azabicyclo[2.2.2]oct-3-yl]carbonyl]- [ACD/Index 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: 852.3±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 129.8±3.0 kJ/mol
Flash Point: 469.3±34.3 °C
Index of Refraction: 1.635
Molar Refractivity: 171.5±0.3 cm3
#H bond acceptors: 11
#H bond donors: 3
#Freely Rotating Bonds: 11
#Rule of 5 Violations: 2
ACD/LogP: 3.45
ACD/LogD (pH 5.5): 1.67
ACD/BCF (pH 5.5): 3.26
ACD/KOC (pH 5.5): 19.27
ACD/LogD (pH 7.4): 0.27
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 147 Å2
Polarizability: 68.0±0.5 10-24cm3
Surface Tension: 63.4±3.0 dyne/cm
Molar Volume: 478.7±3.0 cm3

Click to predict properties on the Chemicalize site


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