ChemSpider 2D Image | Benzyl N-({4-[(4-methyl-1-piperidinyl)carbonyl]-1H-imidazol-5-yl}carbonyl)-L-phenylalaninate | C27H30N4O4

Benzyl N-({4-[(4-methyl-1-piperidinyl)carbonyl]-1H-imidazol-5-yl}carbonyl)-L-phenylalaninate

  • Molecular FormulaC27H30N4O4
  • Average mass474.552 Da
  • Monoisotopic mass474.226715 Da
  • ChemSpider ID21447256

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

Benzyl N-({4-[(4-methyl-1-piperidinyl)carbonyl]-1H-imidazol-5-yl}carbonyl)-L-phenylalaninate [ACD/IUPAC Name]
Benzyl-N-({4-[(4-methyl-1-piperidinyl)carbonyl]-1H-imidazol-5-yl}carbonyl)-L-phenylalaninat [German] [ACD/IUPAC Name]
L-Phenylalanine, N-[[5-[(4-methyl-1-piperidinyl)carbonyl]-1H-imidazol-4-yl]carbonyl]-, phenylmethyl ester [ACD/Index Name]
N-({4-[(4-Méthyl-1-pipéridinyl)carbonyl]-1H-imidazol-5-yl}carbonyl)-L-phénylalaninate de benzyle [French] [ACD/IUPAC Name]
AE03_SA03

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

Density: 1.2±0.1 g/cm3
Boiling Point: 759.9±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.6 mmHg at 25°C
Enthalpy of Vaporization: 110.7±3.0 kJ/mol
Flash Point: 413.4±32.9 °C
Index of Refraction: 1.608
Molar Refractivity: 131.7±0.3 cm3
#H bond acceptors: 8
#H bond donors: 2
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 0
ACD/LogP: 3.32
ACD/LogD (pH 5.5): 2.87
ACD/BCF (pH 5.5): 89.30
ACD/KOC (pH 5.5): 866.86
ACD/LogD (pH 7.4): 2.87
ACD/BCF (pH 7.4): 88.61
ACD/KOC (pH 7.4): 860.22
Polar Surface Area: 104 Å2
Polarizability: 52.2±0.5 10-24cm3
Surface Tension: 56.3±3.0 dyne/cm
Molar Volume: 381.2±3.0 cm3

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