ChemSpider 2D Image | 3-{4-Benzoyl-1-[(3-methoxy-4-{[(2-methylphenyl)carbamoyl]amino}phenyl)acetyl]-1,2,3,4-tetrahydro-6-quinoxalinyl}propanoic acid | C35H34N4O6

3-{4-Benzoyl-1-[(3-methoxy-4-{[(2-methylphenyl)carbamoyl]amino}phenyl)acetyl]-1,2,3,4-tetrahydro-6-quinoxalinyl}propanoic acid

  • Molecular FormulaC35H34N4O6
  • Average mass606.668 Da
  • Monoisotopic mass606.247864 Da
  • ChemSpider ID7984708

More details:

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

3-{4-Benzoyl-1-[(3-methoxy-4-{[(2-methylphenyl)carbamoyl]amino}phenyl)acetyl]-1,2,3,4-tetrahydro-6-chinoxalinyl}propansäure [German] [ACD/IUPAC Name]
3-{4-Benzoyl-1-[(3-methoxy-4-{[(2-methylphenyl)carbamoyl]amino}phenyl)acetyl]-1,2,3,4-tetrahydro-6-quinoxalinyl}propanoic acid [ACD/IUPAC Name]
6-Quinoxalinepropanoic acid, 4-benzoyl-1,2,3,4-tetrahydro-1-[2-[3-methoxy-4-[[[(2-methylphenyl)amino]carbonyl]amino]phenyl]acetyl]- [ACD/Index Name]
Acide 3-{4-benzoyl-1-[2-(3-méthoxy-4-{[(2-méthylphényl)carbamoyl]amino}phényl)acétyl]-1,2,3,4-tétrahydro-6-quinoxalinyl}propanoïque [French] [ACD/IUPAC Name]

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

Density: 1.3±0.1 g/cm3
Boiling Point: 803.4±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.0 mmHg at 25°C
Enthalpy of Vaporization: 122.5±3.0 kJ/mol
Flash Point: 439.7±34.3 °C
Index of Refraction: 1.678
Molar Refractivity: 170.4±0.3 cm3
#H bond acceptors: 10
#H bond donors: 3
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 2
ACD/LogP: 4.33
ACD/LogD (pH 5.5): 3.43
ACD/BCF (pH 5.5): 137.69
ACD/KOC (pH 5.5): 622.38
ACD/LogD (pH 7.4): 1.62
ACD/BCF (pH 7.4): 2.16
ACD/KOC (pH 7.4): 9.78
Polar Surface Area: 128 Å2
Polarizability: 67.5±0.5 10-24cm3
Surface Tension: 67.3±3.0 dyne/cm
Molar Volume: 452.0±3.0 cm3

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