ChemSpider 2D Image | 4-(Glycylamino)-N-[4-(2-{[2-hydroxy-2-(5-hydroxy-3-oxo-3,4-dihydro-2H-1,4-benzoxazin-8-yl)ethyl]amino}-2-methylpropyl)phenyl]butanamide | C26H35N5O6

4-(Glycylamino)-N-[4-(2-{[2-hydroxy-2-(5-hydroxy-3-oxo-3,4-dihydro-2H-1,4-benzoxazin-8-yl)ethyl]amino}-2-methylpropyl)phenyl]butanamide

  • Molecular FormulaC26H35N5O6
  • Average mass513.586 Da
  • Monoisotopic mass513.258728 Da
  • ChemSpider ID24641852

More details:






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

4-(Glycylamino)-N-[4-(2-{[2-hydroxy-2-(5-hydroxy-3-oxo-3,4-dihydro-2H-1,4-benzoxazin-8-yl)ethyl]amino}-2-methylpropyl)phenyl]butanamid [German] [ACD/IUPAC Name]
4-(Glycylamino)-N-[4-(2-{[2-hydroxy-2-(5-hydroxy-3-oxo-3,4-dihydro-2H-1,4-benzoxazin-8-yl)ethyl]amino}-2-methylpropyl)phenyl]butanamide [ACD/IUPAC Name]
4-(Glycylamino)-N-[4-(2-{[2-hydroxy-2-(5-hydroxy-3-oxo-3,4-dihydro-2H-1,4-benzoxazin-8-yl)éthyl]amino}-2-méthylpropyl)phényl]butanamide [French] [ACD/IUPAC Name]
Butanamide, 4-[(2-aminoacetyl)amino]-N-[4-[2-[[2-(3,4-dihydro-5-hydroxy-3-oxo-2H-1,4-benzoxazin-8-yl)-2-hydroxyethyl]amino]-2-methylpropyl]phenyl]- [ACD/Index Name]

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.3±0.1 g/cm3
Boiling Point: 888.1±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 135.2±3.0 kJ/mol
Flash Point: 490.9±34.3 °C
Index of Refraction: 1.621
Molar Refractivity: 138.4±0.3 cm3
#H bond acceptors: 11
#H bond donors: 8
#Freely Rotating Bonds: 12
#Rule of 5 Violations: 3
ACD/LogP: -1.17
ACD/LogD (pH 5.5): -4.74
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -2.75
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 175 Å2
Polarizability: 54.9±0.5 10-24cm3
Surface Tension: 62.9±3.0 dyne/cm
Molar Volume: 393.7±3.0 cm3

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