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

2-({3-[Benzyl(methyl)amino]-N-[(9H-fluoren-9-ylmethoxy)carbonyl]alanyl}amino)-5-fluorobenzoic acid

  • Molecular FormulaC33H30FN3O5
  • Average mass567.607 Da
  • Monoisotopic mass567.216919 Da
  • ChemSpider ID65656657

More details:

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

2-({3-[Benzyl(methyl)amino]-N-[(9H-fluoren-9-ylmethoxy)carbonyl]alanyl}amino)-5-fluorbenzoesäure [German] [ACD/IUPAC Name]
2-({3-[Benzyl(methyl)amino]-N-[(9H-fluoren-9-ylmethoxy)carbonyl]alanyl}amino)-5-fluorobenzoic acid [ACD/IUPAC Name]
Acide 2-({3-[benzyl(méthyl)amino]-N-[(9H-fluorén-9-ylméthoxy)carbonyl]alanyl}amino)-5-fluorobenzoïque [French] [ACD/IUPAC Name]
Benzoic acid, 2-[[2-[[(9H-fluoren-9-ylmethoxy)carbonyl]amino]-3-[methyl(phenylmethyl)amino]-1-oxopropyl]amino]-5-fluoro- [ACD/Index Name]
2-{3-[benzyl(methyl)amino]-2-({[(9H-fluoren-9-yl)methoxy]carbonyl}amino)propanamido}-5-fluorobenzoic acid
2171620-15-6 [RN]

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

Density: 1.3±0.1 g/cm3
Boiling Point: 783.4±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.9 mmHg at 25°C
Enthalpy of Vaporization: 119.6±3.0 kJ/mol
Flash Point: 427.6±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: 7.88
ACD/LogD (pH 5.5): 4.45
ACD/BCF (pH 5.5): 354.58
ACD/KOC (pH 5.5): 453.72
ACD/LogD (pH 7.4): 4.22
ACD/BCF (pH 7.4): 210.94
ACD/KOC (pH 7.4): 269.92
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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