ChemSpider 2D Image | 2-({2-[(N-Acetyl-L-valyl)amino]phenyl}ethynyl)-N-[(2S)-1-(methylamino)-1-oxo-2-propanyl]benzamide | C26H30N4O4

2-({2-[(N-Acetyl-L-valyl)amino]phenyl}ethynyl)-N-[(2S)-1-(methylamino)-1-oxo-2-propanyl]benzamide

  • Molecular FormulaC26H30N4O4
  • Average mass462.541 Da
  • Monoisotopic mass462.226715 Da
  • ChemSpider ID30652847

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

2-({2-[(N-Acetyl-L-valyl)amino]phenyl}ethinyl)-N-[(2S)-1-(methylamino)-1-oxo-2-propanyl]benzamid [German] [ACD/IUPAC Name]
2-({2-[(N-Acetyl-L-valyl)amino]phenyl}ethynyl)-N-[(2S)-1-(methylamino)-1-oxo-2-propanyl]benzamide [ACD/IUPAC Name]
2-({2-[(N-Acétyl-L-valyl)amino]phényl}éthynyl)-N-[(2S)-1-(méthylamino)-1-oxo-2-propanyl]benzamide [French] [ACD/IUPAC Name]
Benzamide, 2-[2-[2-[[(2S)-2-(acetylamino)-3-methyl-1-oxobutyl]amino]phenyl]ethynyl]-N-[(1S)-1-methyl-2-(methylamino)-2-oxoethyl]- [ACD/Index Name]

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

Density: 1.2±0.1 g/cm3
Boiling Point: 809.2±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.9 mmHg at 25°C
Enthalpy of Vaporization: 117.6±3.0 kJ/mol
Flash Point: 248.4±34.4 °C
Index of Refraction: 1.596
Molar Refractivity: 129.3±0.4 cm3
#H bond acceptors: 8
#H bond donors: 4
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 0
ACD/LogP: 1.92
ACD/LogD (pH 5.5): 1.80
ACD/BCF (pH 5.5): 13.74
ACD/KOC (pH 5.5): 227.12
ACD/LogD (pH 7.4): 1.80
ACD/BCF (pH 7.4): 13.74
ACD/KOC (pH 7.4): 227.12
Polar Surface Area: 116 Å2
Polarizability: 51.3±0.5 10-24cm3
Surface Tension: 56.1±5.0 dyne/cm
Molar Volume: 379.9±5.0 cm3

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