ChemSpider 2D Image | cis-4-[({N-[(2R)-2-(2,4-Dioxo-1,4-dihydro-3(2H)-quinazolinyl)-3-phenylpropanoyl]-L-phenylalanyl}amino)methyl]cyclohexanecarboxylic acid | C34H36N4O6

cis-4-[({N-[(2R)-2-(2,4-Dioxo-1,4-dihydro-3(2H)-quinazolinyl)-3-phenylpropanoyl]-L-phenylalanyl}amino)methyl]cyclohexanecarboxylic acid

  • Molecular FormulaC34H36N4O6
  • Average mass596.673 Da
  • Monoisotopic mass596.263489 Da
  • ChemSpider ID21351099

  • defined stereocentres - 3 of 4 defined stereocentres

More details:

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

Acide cis-4-[({N-[(2R)-2-(2,4-dioxo-1,4-dihydro-3(2H)-quinazolinyl)-3-phénylpropanoyl]-L-phénylalanyl}amino)méthyl]cyclohexanecarboxylique [French] [ACD/IUPAC Name]
cis-4-[({N-[(2R)-2-(2,4-Dioxo-1,4-dihydro-3(2H)-chinazolinyl)-3-phenylpropanoyl]-L-phenylalanyl}amino)methyl]cyclohexancarbonsäure [German] [ACD/IUPAC Name]
cis-4-[({N-[(2R)-2-(2,4-Dioxo-1,4-dihydro-3(2H)-quinazolinyl)-3-phenylpropanoyl]-L-phenylalanyl}amino)methyl]cyclohexanecarboxylic acid [ACD/IUPAC Name]
Cyclohexanecarboxylic acid, 4-[[[(2S)-2-[[(2R)-2-(1,4-dihydro-2,4-dioxo-3(2H)-quinazolinyl)-1-oxo-3-phenylpropyl]amino]-1-oxo-3-phenylpropyl]amino]methyl]-, cis- [ACD/Index Name]
1173681-33-8 [RN]

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

Density: 1.3±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.663
Molar Refractivity: 164.7±0.5 cm3
#H bond acceptors: 10
#H bond donors: 4
#Freely Rotating Bonds: 11
#Rule of 5 Violations: 2
ACD/LogP: 4.41
ACD/LogD (pH 5.5): 2.94
ACD/BCF (pH 5.5): 66.45
ACD/KOC (pH 5.5): 426.73
ACD/LogD (pH 7.4): 1.11
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 6.30
Polar Surface Area: 148 Å2
Polarizability: 65.3±0.5 10-24cm3
Surface Tension: 56.7±7.0 dyne/cm
Molar Volume: 444.8±7.0 cm3

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