ChemSpider 2D Image | Ethyl N-{[1-methyl-2-({[4-(N-{[(2-methylpentyl)oxy]carbonyl}carbamimidoyl)phenyl]amino}methyl)-1H-benzimidazol-5-yl]carbonyl}-N-2-pyridinyl-beta-alaninate | C34H41N7O5

Ethyl N-{[1-methyl-2-({[4-(N-{[(2-methylpentyl)oxy]carbonyl}carbamimidoyl)phenyl]amino}methyl)-1H-benzimidazol-5-yl]carbonyl}-N-2-pyridinyl-β-alaninate

  • Molecular FormulaC34H41N7O5
  • Average mass627.733 Da
  • Monoisotopic mass627.316895 Da
  • ChemSpider ID67868741

More details:

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

Ethyl N-{[1-methyl-2-({[4-(N-{[(2-methylpentyl)oxy]carbonyl}carbamimidoyl)phenyl]amino}methyl)-1H-benzimidazol-5-yl]carbonyl}-N-2-pyridinyl-β-alaninate [ACD/IUPAC Name]
Ethyl-N-{[1-methyl-2-({[4-(N-{[(2-methylpentyl)oxy]carbonyl}carbamimidoyl)phenyl]amino}methyl)-1H-benzimidazol-5-yl]carbonyl}-N-2-pyridinyl-β-alaninat [German] [ACD/IUPAC Name]
N-{[1-Méthyl-2-({[4-(N-{[(2-méthylpentyl)oxy]carbonyl}carbamimidoyl)phényl]amino}méthyl)-1H-benzimidazol-5-yl]carbonyl}-N-2-pyridinyl-β-alaninate d'éthyle [French] [ACD/IUPAC Name]
β-Alanine, N-[[2-[[[4-[imino[[[(2-methylpentyl)oxy]carbonyl]amino]methyl]phenyl]amino]methyl]-1-methyl-1H-benzimidazol-5-yl]carbonyl]-N-2-pyridinyl-, ethyl ester [ACD/Index Name]
ethyl 3-(1-methyl-2-(((4-(N-(((2-methylpentyl)oxy)carbonyl)carbamimidoyl)phenyl)amino)methyl)-N-(pyridin-2-yl)-1H-benzo[d]imidazole-5-carboxamido)propanoate

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

Density: 1.2±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.615
Molar Refractivity: 175.7±0.5 cm3
#H bond acceptors: 12
#H bond donors: 3
#Freely Rotating Bonds: 17
#Rule of 5 Violations: 2
ACD/LogP: 4.46
ACD/LogD (pH 5.5): 3.60
ACD/BCF (pH 5.5): 242.39
ACD/KOC (pH 5.5): 1274.20
ACD/LogD (pH 7.4): 4.09
ACD/BCF (pH 7.4): 749.59
ACD/KOC (pH 7.4): 3940.46
Polar Surface Area: 152 Å2
Polarizability: 69.6±0.5 10-24cm3
Surface Tension: 48.5±7.0 dyne/cm
Molar Volume: 503.2±7.0 cm3

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