ChemSpider 2D Image | N-(4-{[(2-amino-5-chloro-4-hydroxyquinazolin-6-yl)amino]methyl}benzoyl)glutamic acid | C21H20ClN5O6

N-(4-{[(2-amino-5-chloro-4-hydroxyquinazolin-6-yl)amino]methyl}benzoyl)glutamic acid

  • Molecular FormulaC21H20ClN5O6
  • Average mass473.866 Da
  • Monoisotopic mass473.110199 Da
  • ChemSpider ID23133624

More details:

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

Acide N-(4-{[(2-amino-5-chloro-4-oxo-1,4-dihydro-6-quinazolinyl)amino]méthyl}benzoyl)glutamique [French] [ACD/IUPAC Name]
Glutamic acid, N-[4-[[(2-amino-5-chloro-4-hydroxy-6-quinazolinyl)amino]methyl]benzoyl]- [ACD/Index Name]
N-(4-{[(2-Amino-5-chlor-4-oxo-1,4-dihydro-6-chinazolinyl)amino]methyl}benzoyl)glutaminsäure [German] [ACD/IUPAC Name]
N-(4-{[(2-amino-5-chloro-4-hydroxyquinazolin-6-yl)amino]methyl}benzoyl)glutamic acid
N-(4-{[(2-Amino-5-chloro-4-oxo-1,4-dihydro-6-quinazolinyl)amino]methyl}benzoyl)glutamic acid [ACD/IUPAC Name]
102743-78-2 [RN]
2-{4-[(2-Amino-5-chloro-4-hydroxy-quinazolin-6-ylamino)-methyl]-benzoylamino}-pentanedioic acid
L-Glutamic acid,N-[4-[[(2-amino-5-chloro-1,4-dihydro-4-oxo-6-quinazolinyl)amino]methyl]benzoyl]-(9CI)

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

Density: 1.6±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.741
Molar Refractivity: 120.6±0.3 cm3
#H bond acceptors: 11
#H bond donors: 7
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 2
ACD/LogP: -0.65
ACD/LogD (pH 5.5): -3.65
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -4.13
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 188 Å2
Polarizability: 47.8±0.5 10-24cm3
Surface Tension: 90.0±3.0 dyne/cm
Molar Volume: 298.8±3.0 cm3

Click to predict properties on the Chemicalize site


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