ChemSpider 2D Image | N-(4-{[(2-Methyl-4-oxo-1,4-dihydro-6-quinazolinyl)methyl](2-propyn-1-yl)amino}benzoyl)-D-glutamic acid | C25H24N4O6

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

  • Molecular FormulaC25H24N4O6
  • Average mass476.481 Da
  • Monoisotopic mass476.169586 Da
  • ChemSpider ID23107436

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

Acide N-(4-{[(2-méthyl-4-oxo-1,4-dihydro-6-quinazolinyl)méthyl](2-propyn-1-yl)amino}benzoyl)-D-glutamique [French] [ACD/IUPAC Name]
D-Glutamic acid, N-[4-[[(4-hydroxy-2-methyl-6-quinazolinyl)methyl]-2-propyn-1-ylamino]benzoyl]- [ACD/Index Name]
N-(4-{[(2-Methyl-4-oxo-1,4-dihydro-6-chinazolinyl)methyl](2-propin-1-yl)amino}benzoyl)-D-glutaminsäure [German] [ACD/IUPAC Name]
N-(4-{[(2-Methyl-4-oxo-1,4-dihydro-6-quinazolinyl)methyl](2-propyn-1-yl)amino}benzoyl)-D-glutamic acid [ACD/IUPAC Name]
(R)-2-{4-[(2-Methyl-4-oxo-3,4-dihydro-quinazolin-6-ylmethyl)-prop-2-ynyl-amino]-benzoylamino}-pentanedioic acid
N-(4-{[(4-hydroxy-2-methylquinazolin-6-yl)methyl](prop-2-yn-1-yl)amino}benzoyl)-D-glutamic acid

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

Density: 1.4±0.1 g/cm3
Boiling Point: 749.3±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.6 mmHg at 25°C
Enthalpy of Vaporization: 114.6±3.0 kJ/mol
Flash Point: 407.0±32.9 °C
Index of Refraction: 1.687
Molar Refractivity: 128.1±0.3 cm3
#H bond acceptors: 10
#H bond donors: 4
#Freely Rotating Bonds: 11
#Rule of 5 Violations: 1
ACD/LogP: 0.74
ACD/LogD (pH 5.5): -3.35
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -3.73
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 153 Å2
Polarizability: 50.8±0.5 10-24cm3
Surface Tension: 77.7±3.0 dyne/cm
Molar Volume: 336.2±3.0 cm3

Click to predict properties on the Chemicalize site


Advertisement