ChemSpider 2D Image | N-(4-{[(2-Amino-4-oxo-1,4-dihydro-6-quinazolinyl)amino]methyl}benzoyl)-D-glutamic acid | C21H21N5O6

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

  • Molecular FormulaC21H21N5O6
  • Average mass439.421 Da
  • Monoisotopic mass439.149170 Da
  • ChemSpider ID28942107

  • 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)amino]méthyl}benzoyl)-D-glutamique [French] [ACD/IUPAC Name]
D-Glutamic acid, N-[4-[[(2-amino-1,4-dihydro-4-oxo-6-quinazolinyl)amino]methyl]benzoyl]- [ACD/Index Name]
N-(4-{[(2-Amino-4-oxo-1,4-dihydro-6-chinazolinyl)amino]methyl}benzoyl)-D-glutaminsäure [German] [ACD/IUPAC Name]
N-(4-{[(2-Amino-4-oxo-1,4-dihydro-6-quinazolinyl)amino]methyl}benzoyl)-D-glutamic acid [ACD/IUPAC Name]
https://www.ebi.ac.uk/chembl/compoundreportcard/CHEMBL2114414/

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: 1.709
Molar Refractivity: 110.9±0.5 cm3
#H bond acceptors: 11
#H bond donors: 7
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 2
ACD/LogP: -0.81
ACD/LogD (pH 5.5): -3.23
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -5.06
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 183 Å2
Polarizability: 44.0±0.5 10-24cm3
Surface Tension: 69.7±7.0 dyne/cm
Molar Volume: 284.1±7.0 cm3

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