ChemSpider 2D Image | N-(4-{[(2-Amino-4-oxo-1,4-dihydro-6-quinazolinyl)methyl](bromoacetyl)amino}benzoyl)-L-glutamic acid | C23H22BrN5O7

N-(4-{[(2-Amino-4-oxo-1,4-dihydro-6-quinazolinyl)methyl](bromoacetyl)amino}benzoyl)-L-glutamic acid

  • Molecular FormulaC23H22BrN5O7
  • Average mass560.354 Da
  • Monoisotopic mass559.070251 Da
  • ChemSpider ID113355
  • defined stereocentres - 1 of 1 defined stereocentres


More details:






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

Acide N-(4-{[(2-amino-4-oxo-1,4-dihydro-6-quinazolinyl)méthyl](2-bromoacétyl)amino}benzoyl)-L-glutamique [French] [ACD/IUPAC Name]
L-Glutamic acid, N-[4-[[(2-amino-1,4-dihydro-4-oxo-6-quinazolinyl)methyl](2-bromoacetyl)amino]benzoyl]- [ACD/Index Name]
N-(4-{[(2-Amino-4-oxo-1,4-dihydro-6-chinazolinyl)methyl](bromacetyl)amino}benzoyl)-L-glutaminsäure [German] [ACD/IUPAC Name]
N-(4-{[(2-Amino-4-oxo-1,4-dihydro-6-quinazolinyl)methyl](bromoacetyl)amino}benzoyl)-L-glutamic acid [ACD/IUPAC Name]
101375-70-6 [RN]
L-Glutamic acid, N-(4-(((2-amino-1,4-dihydro-4-oxo-6-quinazolinyl)methyl)(bromoacetyl)amino)benzoyl)-
L-Glutamic acid,N-[4-[[(2-amino-1,4-dihydro-4-oxo-6-quinazolinyl)methyl](bromoacetyl)amino]benzoyl]-(9CI)
N(10)-Bromoacetyl-5,8-dideazafolic acid
NBDFA

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.7±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.708
Molar Refractivity: 129.5±0.5 cm3
#H bond acceptors: 12
#H bond donors: 6
#Freely Rotating Bonds: 10
#Rule of 5 Violations: 3
ACD/LogP: -0.16
ACD/LogD (pH 5.5): -2.92
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -4.48
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 191 Å2
Polarizability: 51.3±0.5 10-24cm3
Surface Tension: 70.4±7.0 dyne/cm
Molar Volume: 332.0±7.0 cm3

Click to predict properties on the Chemicalize site






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