ChemSpider 2D Image | Hexyl [(Z)-amino(4-{[(5-{[(2E)-3-ethoxy-3-hydroxy-2-propen-1-yl](2-pyridinyl)carbamoyl}-1-methyl-1H-benzimidazol-2-yl)methyl]amino}phenyl)methylene]carbamate | C34H41N7O5

Hexyl [(Z)-amino(4-{[(5-{[(2E)-3-ethoxy-3-hydroxy-2-propen-1-yl](2-pyridinyl)carbamoyl}-1-methyl-1H-benzimidazol-2-yl)methyl]amino}phenyl)methylene]carbamate

  • Molecular FormulaC34H41N7O5
  • Average mass627.733 Da
  • Monoisotopic mass627.316895 Da
  • ChemSpider ID95689278

More details:

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

[(Z)-Amino(4-{[(5-{[(2E)-3-éthoxy-3-hydroxy-2-propén-1-yl](2-pyridinyl)carbamoyl}-1-méthyl-1H-benzimidazol-2-yl)méthyl]amino}phényl)méthylène]carbamate d'hexyle [French] [ACD/IUPAC Name]
Carbamic acid, N-[(1Z)-amino[4-[[[5-[[[(2E)-3-ethoxy-3-hydroxy-2-propen-1-yl]-2-pyridinylamino]carbonyl]-1-methyl-1H-benzimidazol-2-yl]methyl]amino]phenyl]methylene]-, hexyl ester [ACD/Index Name]
Hexyl [(Z)-amino(4-{[(5-{[(2E)-3-ethoxy-3-hydroxy-2-propen-1-yl](2-pyridinyl)carbamoyl}-1-methyl-1H-benzimidazol-2-yl)methyl]amino}phenyl)methylene]carbamate [ACD/IUPAC Name]
Hexyl-[(Z)-amino(4-{[(5-{[(2E)-3-ethoxy-3-hydroxy-2-propen-1-yl](2-pyridinyl)carbamoyl}-1-methyl-1H-benzimidazol-2-yl)methyl]amino}phenyl)methylen]carbamat [German] [ACD/IUPAC 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: 856.9±75.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 130.5±3.0 kJ/mol
Flash Point: 472.0±37.1 °C
Index of Refraction: 1.615
Molar Refractivity: 175.9±0.5 cm3
#H bond acceptors: 12
#H bond donors: 4
#Freely Rotating Bonds: 17
#Rule of 5 Violations: 3
ACD/LogP: 5.58
ACD/LogD (pH 5.5): 4.43
ACD/BCF (pH 5.5): 1206.44
ACD/KOC (pH 5.5): 4825.32
ACD/LogD (pH 7.4): 4.65
ACD/BCF (pH 7.4): 1991.39
ACD/KOC (pH 7.4): 7964.79
Polar Surface Area: 157 Å2
Polarizability: 69.7±0.5 10-24cm3
Surface Tension: 49.2±7.0 dyne/cm
Molar Volume: 504.0±7.0 cm3

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