ChemSpider 2D Image | Methyl N-{4-[(1H-imidazol-4-ylmethyl)amino]-2-(1-naphthyl)benzoyl}-D-leucinate | C28H30N4O3

Methyl N-{4-[(1H-imidazol-4-ylmethyl)amino]-2-(1-naphthyl)benzoyl}-D-leucinate

  • Molecular FormulaC28H30N4O3
  • Average mass470.563 Da
  • Monoisotopic mass470.231781 Da
  • ChemSpider ID78315501

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

D-Leucine, N-[4-[(1H-imidazol-4-ylmethyl)amino]-2-(1-naphthalenyl)benzoyl]-, methyl ester [ACD/Index Name]
Methyl N-{4-[(1H-imidazol-4-ylmethyl)amino]-2-(1-naphthyl)benzoyl}-D-leucinate [ACD/IUPAC Name]
Methyl-N-{4-[(1H-imidazol-4-ylmethyl)amino]-2-(1-naphthyl)benzoyl}-D-leucinat [German] [ACD/IUPAC Name]
N-{4-[(1H-Imidazol-4-ylméthyl)amino]-2-(1-naphtyl)benzoyl}-D-leucinate 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: 710.6±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.3 mmHg at 25°C
Enthalpy of Vaporization: 103.9±3.0 kJ/mol
Flash Point: 383.5±32.9 °C
Index of Refraction: 1.640
Molar Refractivity: 138.4±0.3 cm3
#H bond acceptors: 7
#H bond donors: 3
#Freely Rotating Bonds: 10
#Rule of 5 Violations: 0
ACD/LogP: 4.23
ACD/LogD (pH 5.5): 2.98
ACD/BCF (pH 5.5): 52.57
ACD/KOC (pH 5.5): 252.31
ACD/LogD (pH 7.4): 4.19
ACD/BCF (pH 7.4): 846.52
ACD/KOC (pH 7.4): 4063.21
Polar Surface Area: 96 Å2
Polarizability: 54.9±0.5 10-24cm3
Surface Tension: 53.8±3.0 dyne/cm
Molar Volume: 384.2±3.0 cm3

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