ChemSpider 2D Image | Methyl N-[(1-butyl-1H-indazol-3-yl)carbonyl]-L-phenylalaninate | C22H25N3O3

Methyl N-[(1-butyl-1H-indazol-3-yl)carbonyl]-L-phenylalaninate

  • Molecular FormulaC22H25N3O3
  • Average mass379.452 Da
  • Monoisotopic mass379.189606 Da
  • ChemSpider ID115005699

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

L-Phenylalanine, N-[(1-butyl-1H-indazol-3-yl)carbonyl]-, methyl ester [ACD/Index Name]
Methyl N-[(1-butyl-1H-indazol-3-yl)carbonyl]-L-phenylalaninate [ACD/IUPAC Name]
Methyl-N-[(1-butyl-1H-indazol-3-yl)carbonyl]-L-phenylalaninat [German] [ACD/IUPAC Name]
N-[(1-Butyl-1H-indazol-3-yl)carbonyl]-L-phénylalaninate de méthyle [French] [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: 605.0±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.7 mmHg at 25°C
Enthalpy of Vaporization: 90.0±3.0 kJ/mol
Flash Point: 319.7±30.1 °C
Index of Refraction: 1.596
Molar Refractivity: 109.1±0.5 cm3
#H bond acceptors: 6
#H bond donors: 1
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 0
ACD/LogP: 3.91
ACD/LogD (pH 5.5): 3.65
ACD/BCF (pH 5.5): 348.57
ACD/KOC (pH 5.5): 2298.11
ACD/LogD (pH 7.4): 3.65
ACD/BCF (pH 7.4): 348.41
ACD/KOC (pH 7.4): 2297.07
Polar Surface Area: 73 Å2
Polarizability: 43.2±0.5 10-24cm3
Surface Tension: 44.6±7.0 dyne/cm
Molar Volume: 320.6±7.0 cm3

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