ChemSpider 2D Image | Benzyl N-[(4-{[(1S)-1-phenylethyl]carbamoyl}-1H-imidazol-5-yl)carbonyl]-L-alaninate | C23H24N4O4

Benzyl N-[(4-{[(1S)-1-phenylethyl]carbamoyl}-1H-imidazol-5-yl)carbonyl]-L-alaninate

  • Molecular FormulaC23H24N4O4
  • Average mass420.461 Da
  • Monoisotopic mass420.179749 Da
  • ChemSpider ID21447255

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

Benzyl N-[(4-{[(1S)-1-phenylethyl]carbamoyl}-1H-imidazol-5-yl)carbonyl]-L-alaninate [ACD/IUPAC Name]
Benzyl-N-[(4-{[(1S)-1-phenylethyl]carbamoyl}-1H-imidazol-5-yl)carbonyl]-L-alaninat [German] [ACD/IUPAC Name]
L-Alanine, N-[[5-[[[(1S)-1-phenylethyl]amino]carbonyl]-1H-imidazol-4-yl]carbonyl]-, phenylmethyl ester [ACD/Index Name]
N-[(4-{[(1S)-1-Phényléthyl]carbamoyl}-1H-imidazol-5-yl)carbonyl]-L-alaninate de benzyle [French] [ACD/IUPAC Name]
AE02_PA02

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

Density: 1.3±0.1 g/cm3
Boiling Point: 749.1±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.5 mmHg at 25°C
Enthalpy of Vaporization: 109.2±3.0 kJ/mol
Flash Point: 406.8±32.9 °C
Index of Refraction: 1.607
Molar Refractivity: 115.3±0.3 cm3
#H bond acceptors: 8
#H bond donors: 3
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 0
ACD/LogP: 3.04
ACD/LogD (pH 5.5): 2.37
ACD/BCF (pH 5.5): 37.37
ACD/KOC (pH 5.5): 464.58
ACD/LogD (pH 7.4): 2.33
ACD/BCF (pH 7.4): 34.01
ACD/KOC (pH 7.4): 422.77
Polar Surface Area: 113 Å2
Polarizability: 45.7±0.5 10-24cm3
Surface Tension: 55.7±3.0 dyne/cm
Molar Volume: 333.7±3.0 cm3

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