ChemSpider 2D Image | 2-Methyl-2-propanyl 1-[4-(N'-{[(2-methyl-2-propanyl)oxy]carbonyl}carbamimidoyl)benzyl]-8-[1-(1-pyrrolidinylcarbonyl)cyclopentyl]-3,4-dihydropyrazino[1,2-a]benzimidazole-2(1H)-carboxylate | C38H50N6O5

2-Methyl-2-propanyl 1-[4-(N'-{[(2-methyl-2-propanyl)oxy]carbonyl}carbamimidoyl)benzyl]-8-[1-(1-pyrrolidinylcarbonyl)cyclopentyl]-3,4-dihydropyrazino[1,2-a]benzimidazole-2(1H)-carboxylate

  • Molecular FormulaC38H50N6O5
  • Average mass670.841 Da
  • Monoisotopic mass670.384277 Da
  • ChemSpider ID76735898

More details:

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

1-[4-(N'-{[(2-Méthyl-2-propanyl)oxy]carbonyl}carbamimidoyl)benzyl]-8-[1-(1-pyrrolidinylcarbonyl)cyclopentyl]-3,4-dihydropyrazino[1,2-a]benzimidazole-2(1H)-carboxylate de 2-méthyl-2-propanyle [French] [ACD/IUPAC Name]
2-Methyl-2-propanyl 1-[4-(N'-{[(2-methyl-2-propanyl)oxy]carbonyl}carbamimidoyl)benzyl]-8-[1-(1-pyrrolidinylcarbonyl)cyclopentyl]-3,4-dihydropyrazino[1,2-a]benzimidazole-2(1H)-carboxylate [ACD/IUPAC Name]
2-Methyl-2-propanyl-1-[4-(N'-{[(2-methyl-2-propanyl)oxy]carbonyl}carbamimidoyl)benzyl]-8-[1-(1-pyrrolidinylcarbonyl)cyclopentyl]-3,4-dihydropyrazino[1,2-a]benzimidazol-2(1H)-carboxylat [German] [ACD/IUPAC Name]
Pyrazino[1,2-a]benzimidazole-2(1H)-carboxylic acid, 1-[[4-[(Z)-amino[[(1,1-dimethylethoxy)carbonyl]imino]methyl]phenyl]methyl]-3,4-dihydro-8-[1-(1-pyrrolidinylcarbonyl)cyclopentyl]-, 1,1-dimethylethyl ester [ACD/Index 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: 829.0±75.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.0 mmHg at 25°C
Enthalpy of Vaporization: 120.5±3.0 kJ/mol
Flash Point: 455.1±37.1 °C
Index of Refraction: 1.634
Molar Refractivity: 188.1±0.5 cm3
#H bond acceptors: 11
#H bond donors: 2
#Freely Rotating Bonds: 10
#Rule of 5 Violations: 3
ACD/LogP: 5.85
ACD/LogD (pH 5.5): 5.36
ACD/BCF (pH 5.5): 5900.12
ACD/KOC (pH 5.5): 14305.54
ACD/LogD (pH 7.4): 5.65
ACD/BCF (pH 7.4): 11647.35
ACD/KOC (pH 7.4): 28240.35
Polar Surface Area: 132 Å2
Polarizability: 74.6±0.5 10-24cm3
Surface Tension: 49.7±7.0 dyne/cm
Molar Volume: 526.0±7.0 cm3

Click to predict properties on the Chemicalize site


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