ChemSpider 2D Image | N-(4-{2-[(6S)-2-Imino-4-oxo-1,2,3,4,5,6,7,8-octahydro-6-quinazolinyl]ethyl}benzoyl)-L-glutamic acid | C22H26N4O6

N-(4-{2-[(6S)-2-Imino-4-oxo-1,2,3,4,5,6,7,8-octahydro-6-quinazolinyl]ethyl}benzoyl)-L-glutamic acid

  • Molecular FormulaC22H26N4O6
  • Average mass442.465 Da
  • Monoisotopic mass442.185242 Da
  • ChemSpider ID68027079

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

Acide N-(4-{2-[(6S)-2-imino-4-oxo-1,2,3,4,5,6,7,8-octahydro-6-quinazolinyl]éthyl}benzoyl)-L-glutamique [French] [ACD/IUPAC Name]
L-Glutamic acid, N-[4-[2-[(6S)-1,2,3,4,5,6,7,8-octahydro-2-imino-4-oxo-6-quinazolinyl]ethyl]benzoyl]- [ACD/Index Name]
N-(4-{2-[(6S)-2-Imino-4-oxo-1,2,3,4,5,6,7,8-octahydro-6-chinazolinyl]ethyl}benzoyl)-L-glutaminsäure [German] [ACD/IUPAC Name]
N-(4-{2-[(6S)-2-Imino-4-oxo-1,2,3,4,5,6,7,8-octahydro-6-quinazolinyl]ethyl}benzoyl)-L-glutamic acid [ACD/IUPAC Name]

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

Density: 1.5±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.686
Molar Refractivity: 112.5±0.5 cm3
#H bond acceptors: 10
#H bond donors: 6
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 2
ACD/LogP: 0.59
ACD/LogD (pH 5.5): -2.40
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -4.16
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 169 Å2
Polarizability: 44.6±0.5 10-24cm3
Surface Tension: 65.3±7.0 dyne/cm
Molar Volume: 295.5±7.0 cm3

Click to predict properties on the Chemicalize site


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