ChemSpider 2D Image | Ethyl [1'-(3,4-diethyl-N-{[4-(2-oxo-1,2-dihydro-3H-imidazo[4,5-c]quinolin-3-yl)-1-piperidinyl]carbonyl}-D-phenylalanyl)-4,4'-bipiperidin-1-yl]acetate | C43H57N7O5

Ethyl [1'-(3,4-diethyl-N-{[4-(2-oxo-1,2-dihydro-3H-imidazo[4,5-c]quinolin-3-yl)-1-piperidinyl]carbonyl}-D-phenylalanyl)-4,4'-bipiperidin-1-yl]acetate

  • Molecular FormulaC43H57N7O5
  • Average mass751.957 Da
  • Monoisotopic mass751.442139 Da
  • ChemSpider ID8163216

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

[1'-(3,4-Diéthyl-N-{[4-(2-oxo-1,2-dihydro-3H-imidazo[4,5-c]quinoléin-3-yl)-1-pipéridinyl]carbonyl}-D-phénylalanyl)-4,4'-bipipéridin-1-yl]acétate d'éthyle [French] [ACD/IUPAC Name]
[4,4'-Bipiperidine]-1-acetic acid, 1'-[(2R)-3-(3,4-diethylphenyl)-2-[[[4-(1,2-dihydro-2-oxo-3H-imidazo[4,5-c]quinolin-3-yl)-1-piperidinyl]carbonyl]amino]-1-oxopropyl]-, ethyl ester [ACD/Index Name]
Ethyl [1'-(3,4-diethyl-N-{[4-(2-oxo-1,2-dihydro-3H-imidazo[4,5-c]quinolin-3-yl)-1-piperidinyl]carbonyl}-D-phenylalanyl)-4,4'-bipiperidin-1-yl]acetate [ACD/IUPAC Name]
Ethyl-[1'-(3,4-diethyl-N-{[4-(2-oxo-1,2-dihydro-3H-imidazo[4,5-c]chinolin-3-yl)-1-piperidinyl]carbonyl}-D-phenylalanyl)-4,4'-bipiperidin-1-yl]acetat [German] [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:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.608
Molar Refractivity: 212.0±0.3 cm3
#H bond acceptors: 12
#H bond donors: 2
#Freely Rotating Bonds: 12
#Rule of 5 Violations: 3
ACD/LogP: 6.86
ACD/LogD (pH 5.5): 3.24
ACD/BCF (pH 5.5): 36.62
ACD/KOC (pH 5.5): 73.36
ACD/LogD (pH 7.4): 5.73
ACD/BCF (pH 7.4): 11270.94
ACD/KOC (pH 7.4): 22578.96
Polar Surface Area: 127 Å2
Polarizability: 84.0±0.5 10-24cm3
Surface Tension: 55.3±3.0 dyne/cm
Molar Volume: 612.9±3.0 cm3

Click to predict properties on the Chemicalize site


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