ChemSpider 2D Image | 3-[4-(2-{[(5-Methoxy-2-methyl-4-{[(2-methylphenyl)carbamoyl]amino}phenyl)carbamoyl]oxy}ethyl)-1-piperazinyl]propanoic acid | C26H35N5O6

3-[4-(2-{[(5-Methoxy-2-methyl-4-{[(2-methylphenyl)carbamoyl]amino}phenyl)carbamoyl]oxy}ethyl)-1-piperazinyl]propanoic acid

  • Molecular FormulaC26H35N5O6
  • Average mass513.586 Da
  • Monoisotopic mass513.258728 Da
  • ChemSpider ID8090060

More details:

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

1-Piperazinepropanoic acid, 4-[2-[[[[5-methoxy-2-methyl-4-[[[(2-methylphenyl)amino]carbonyl]amino]phenyl]amino]carbonyl]oxy]ethyl]- [ACD/Index Name]
3-[4-(2-{[(5-Methoxy-2-methyl-4-{[(2-methylphenyl)carbamoyl]amino}phenyl)carbamoyl]oxy}ethyl)-1-piperazinyl]propanoic acid [ACD/IUPAC Name]
3-[4-(2-{[(5-Methoxy-2-methyl-4-{[(2-methylphenyl)carbamoyl]amino}phenyl)carbamoyl]oxy}ethyl)-1-piperazinyl]propansäure [German] [ACD/IUPAC Name]
Acide 3-[4-(2-{[(5-méthoxy-2-méthyl-4-{[(2-méthylphényl)carbamoyl]amino}phényl)carbamoyl]oxy}éthyl)-1-pipérazinyl]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: 601.9±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.8 mmHg at 25°C
Enthalpy of Vaporization: 94.2±3.0 kJ/mol
Flash Point: 317.8±31.5 °C
Index of Refraction: 1.632
Molar Refractivity: 141.2±0.3 cm3
#H bond acceptors: 11
#H bond donors: 4
#Freely Rotating Bonds: 11
#Rule of 5 Violations: 2
ACD/LogP: 1.54
ACD/LogD (pH 5.5): -0.16
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.63
ACD/LogD (pH 7.4): -0.37
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 132 Å2
Polarizability: 56.0±0.5 10-24cm3
Surface Tension: 62.5±3.0 dyne/cm
Molar Volume: 395.7±3.0 cm3

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