ChemSpider 2D Image | N-{[2-{[(4-Carbamimidoylphenyl)amino]methyl}-1-(~2~H_3_)methyl-1H-benzimidazol-5-yl]carbonyl}-N-(~2~H_4_)-2-pyridinyl-beta-alanine | C25H18D7N7O3

N-{[2-{[(4-Carbamimidoylphenyl)amino]methyl}-1-(2H3)methyl-1H-benzimidazol-5-yl]carbonyl}-N-(2H4)-2-pyridinyl-β-alanine

  • Molecular FormulaC25H18D7N7O3
  • Average mass478.554 Da
  • Monoisotopic mass478.245819 Da
  • ChemSpider ID58778829

  • Non-standard isotope - Non-standard isotope

More details:

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

N-{[2-{[(4-Carbamimidoylphenyl)amino]methyl}-1-(2H3)methyl-1H-benzimidazol-5-yl]carbonyl}-N-(2H4)-2-pyridinyl-β-alanin [German] [ACD/IUPAC Name]
N-{[2-{[(4-Carbamimidoylphenyl)amino]methyl}-1-(2H3)methyl-1H-benzimidazol-5-yl]carbonyl}-N-(2H4)-2-pyridinyl-β-alanine [ACD/IUPAC Name]
N-{[2-{[(4-Carbamimidoylphényl)amino]méthyl}-1-(2H3)méthyl-1H-benzimidazol-5-yl]carbonyl}-N-(2H4)-2-pyridinyl-β-alanine [French] [ACD/IUPAC Name]
β-Alanine, N-[[2-[[[4-(aminoiminomethyl)phenyl]amino]methyl]-1-(methyl-d3)-1H-benzimidazol-5-yl]carbonyl]-N-2-pyridinyl-d4- [ACD/Index Name]

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

Density: 1.4±0.1 g/cm3
Boiling Point: 797.1±70.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.9 mmHg at 25°C
Enthalpy of Vaporization: 121.6±3.0 kJ/mol
Flash Point: 435.9±35.7 °C
Index of Refraction: 1.694
Molar Refractivity: 130.8±0.5 cm3
#H bond acceptors: 10
#H bond donors: 5
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 2
ACD/LogP: 0.79
ACD/LogD (pH 5.5): -1.08
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -1.08
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 150 Å2
Polarizability: 51.9±0.5 10-24cm3
Surface Tension: 60.9±7.0 dyne/cm
Molar Volume: 340.8±7.0 cm3

Click to predict properties on the Chemicalize site


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