ChemSpider 2D Image | 3-(1H-Benzimidazol-2-yl)-N-[(1-methyl-3-phenyl-1H-pyrazol-5-yl)carbonyl]-D-alanine | C21H19N5O3

3-(1H-Benzimidazol-2-yl)-N-[(1-methyl-3-phenyl-1H-pyrazol-5-yl)carbonyl]-D-alanine

  • Molecular FormulaC21H19N5O3
  • Average mass389.407 Da
  • Monoisotopic mass389.148804 Da
  • ChemSpider ID25057940

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

1H-Benzimidazole-2-propanoic acid, α-[[(1-methyl-3-phenyl-1H-pyrazol-5-yl)carbonyl]amino]-, (αR)- [ACD/Index Name]
3-(1H-Benzimidazol-2-yl)-N-[(1-methyl-3-phenyl-1H-pyrazol-5-yl)carbonyl]-D-alanin [German] [ACD/IUPAC Name]
3-(1H-Benzimidazol-2-yl)-N-[(1-methyl-3-phenyl-1H-pyrazol-5-yl)carbonyl]-D-alanine [ACD/IUPAC Name]
3-(1H-Benzimidazol-2-yl)-N-[(1-méthyl-3-phényl-1H-pyrazol-5-yl)carbonyl]-D-alanine [French] [ACD/IUPAC Name]
4DH

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

Density: 1.4±0.1 g/cm3
Boiling Point: 760.8±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.7 mmHg at 25°C
Enthalpy of Vaporization: 116.3±3.0 kJ/mol
Flash Point: 413.9±32.9 °C
Index of Refraction: 1.705
Molar Refractivity: 107.7±0.5 cm3
#H bond acceptors: 8
#H bond donors: 3
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 0
ACD/LogP: 2.14
ACD/LogD (pH 5.5): -0.72
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -1.75
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 113 Å2
Polarizability: 42.7±0.5 10-24cm3
Surface Tension: 59.3±7.0 dyne/cm
Molar Volume: 277.0±7.0 cm3

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