ChemSpider 2D Image | 3-[Benzyl(methyl)amino]-N-(5-{[(9H-fluoren-9-ylmethoxy)carbonyl]amino}-2-fluorobenzoyl)alanine | C33H30FN3O5

3-[Benzyl(methyl)amino]-N-(5-{[(9H-fluoren-9-ylmethoxy)carbonyl]amino}-2-fluorobenzoyl)alanine

  • Molecular FormulaC33H30FN3O5
  • Average mass567.607 Da
  • Monoisotopic mass567.216919 Da
  • ChemSpider ID65663697

More details:

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

3-[Benzyl(methyl)amino]-N-(2-fluor-5-{[(9H-fluoren-9-ylmethoxy)carbonyl]amino}benzoyl)alanin [German] [ACD/IUPAC Name]
3-[Benzyl(methyl)amino]-N-(5-{[(9H-fluoren-9-ylmethoxy)carbonyl]amino}-2-fluorobenzoyl)alanine [ACD/IUPAC Name]
3-[Benzyl(méthyl)amino]-N-(5-{[(9H-fluorén-9-ylméthoxy)carbonyl]amino}-2-fluorobenzoyl)alanine [French] [ACD/IUPAC Name]
Alanine, N-[5-[[(9H-fluoren-9-ylmethoxy)carbonyl]amino]-2-fluorobenzoyl]-3-[methyl(phenylmethyl)amino]- [ACD/Index Name]
2171783-32-5 [RN]
3-[benzyl(methyl)amino]-2-{[5-({[(9H-fluoren-9-yl)methoxy]carbonyl}amino)-2-fluorophenyl]formamido}propanoic acid

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

Density: 1.3±0.1 g/cm3
Boiling Point: 709.4±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.4 mmHg at 25°C
Enthalpy of Vaporization: 108.9±3.0 kJ/mol
Flash Point: 382.8±32.9 °C
Index of Refraction: 1.652
Molar Refractivity: 156.0±0.3 cm3
#H bond acceptors: 8
#H bond donors: 3
#Freely Rotating Bonds: 11
#Rule of 5 Violations: 2
ACD/LogP: 6.38
ACD/LogD (pH 5.5): 2.75
ACD/BCF (pH 5.5): 18.23
ACD/KOC (pH 5.5): 54.17
ACD/LogD (pH 7.4): 2.72
ACD/BCF (pH 7.4): 16.91
ACD/KOC (pH 7.4): 50.23
Polar Surface Area: 108 Å2
Polarizability: 61.8±0.5 10-24cm3
Surface Tension: 59.7±3.0 dyne/cm
Molar Volume: 426.8±3.0 cm3

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