ChemSpider 2D Image | Methyl 5-acetamido-2-({2-acetamido-5-[(1E)-3,3-diethyl-1-triazen-1-yl]-4-(methoxycarbonyl)phenyl}ethynyl)-4-[(trimethylsilyl)ethynyl]benzoate | C31H37N5O6Si

Methyl 5-acetamido-2-({2-acetamido-5-[(1E)-3,3-diethyl-1-triazen-1-yl]-4-(methoxycarbonyl)phenyl}ethynyl)-4-[(trimethylsilyl)ethynyl]benzoate

  • Molecular FormulaC31H37N5O6Si
  • Average mass603.741 Da
  • Monoisotopic mass603.251282 Da
  • ChemSpider ID21198965

  • Double-bond stereo - Double-bond stereo

More details:

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

5-Acétamido-2-({2-acétamido-5-[(1E)-3,3-diéthyl-1-triazén-1-yl]-4-(méthoxycarbonyl)phényl}éthynyl)-4-[(triméthylsilyl)éthynyl]benzoate de méthyle [French] [ACD/IUPAC Name]
Benzoic acid, 5-(acetylamino)-2-[2-[2-(acetylamino)-5-[(1E)-3,3-diethyl-1-triazen-1-yl]-4-(methoxycarbonyl)phenyl]ethynyl]-4-[2-(trimethylsilyl)ethynyl]-, methyl ester [ACD/Index Name]
Methyl 5-acetamido-2-({2-acetamido-5-[(1E)-3,3-diethyl-1-triazen-1-yl]-4-(methoxycarbonyl)phenyl}ethynyl)-4-[(trimethylsilyl)ethynyl]benzoate [ACD/IUPAC Name]
Methyl-5-acetamido-2-({2-acetamido-5-[(1E)-3,3-diethyl-1-triazen-1-yl]-4-(methoxycarbonyl)phenyl}ethinyl)-4-[(trimethylsilyl)ethinyl]benzoat [German] [ACD/IUPAC Name]

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

Density: 1.1±0.1 g/cm3
Boiling Point: 741.9±70.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.6 mmHg at 25°C
Enthalpy of Vaporization: 113.5±3.0 kJ/mol
Flash Point: 402.5±35.7 °C
Index of Refraction: 1.547
Molar Refractivity: 170.2±0.5 cm3
#H bond acceptors: 11
#H bond donors: 2
#Freely Rotating Bonds: 14
#Rule of 5 Violations: 3
ACD/LogP: 7.35
ACD/LogD (pH 5.5): 6.17
ACD/BCF (pH 5.5): 25657.09
ACD/KOC (pH 5.5): 43619.61
ACD/LogD (pH 7.4): 5.90
ACD/BCF (pH 7.4): 13944.84
ACD/KOC (pH 7.4): 23707.62
Polar Surface Area: 146 Å2
Polarizability: 67.5±0.5 10-24cm3
Surface Tension: 36.8±7.0 dyne/cm
Molar Volume: 536.7±7.0 cm3

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