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

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

  • Molecular FormulaC34H41N7O5
  • Average mass627.733 Da
  • Monoisotopic mass627.316895 Da
  • ChemSpider ID77089134

More details:

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

1873316-01-8 [RN]
Ethyl N-[(2-{[(4-{N-[(2-ethylbutoxy)carbonyl]carbamimidoyl}phenyl)amino]methyl}-1-methyl-1H-benzimidazol-5-yl)carbonyl]-N-2-pyridinyl-β-alaninate [ACD/IUPAC Name]
Ethyl-N-[(2-{[(4-{N-[(2-ethylbutoxy)carbonyl]carbamimidoyl}phenyl)amino]methyl}-1-methyl-1H-benzimidazol-5-yl)carbonyl]-N-2-pyridinyl-β-alaninat [German] [ACD/IUPAC Name]
β-Alanine, N-[[2-[[[4-[(E)-amino[[(2-ethylbutoxy)carbonyl]imino]methyl]phenyl]amino]methyl]-1-methyl-1H-benzimidazol-5-yl]carbonyl]-N-2-pyridinyl-, ethyl ester
N-[(2-{[(4-{N-[(2-Éthylbutoxy)carbonyl]carbamimidoyl}phényl)amino]méthyl}-1-méthyl-1H-benzimidazol-5-yl)carbonyl]-N-2-pyridinyl-β-alaninate d'éthyle [French] [ACD/IUPAC Name]
β-Alanine, N-[[2-[[[4-[[[(2-ethylbutoxy)carbonyl]amino]iminomethyl]phenyl]amino]methyl]-1-methyl-1H-benzimidazol-5-yl]carbonyl]-N-2-pyridinyl-, ethyl ester [ACD/Index Name]
1284363-17-2 [RN]
1610758-20-7 [RN]
Ethyl 3-(2-(((4-(n-((2-ethylbutoxy)carbonyl)carbamimidoyl)phenyl)amino)methyl)-1-methyl-n-(pyridin-2-yl)-1h-benzo[d]imidazole-5-carboxamido)propanoate
missing

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): 240.66
ACD/KOC (pH 5.5): 1267.70
ACD/LogD (pH 7.4): 4.09
ACD/BCF (pH 7.4): 744.25
ACD/KOC (pH 7.4): 3920.35
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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