Found 106 results

Search term: MF = 'C_{31}H_{35}N_{5}O_{7}'
ChemSpider 2D Image | N-(4-{[(2-Methyl-4-oxo-1,4-dihydro-6-quinazolinyl)methyl](2-propyn-1-yl)amino}benzoyl)-D-gamma-glutamyl-D-isoleucine | C31H35N5O7

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

  • Molecular FormulaC31H35N5O7
  • Average mass589.639 Da
  • Monoisotopic mass589.253662 Da
  • ChemSpider ID26636313

  • defined stereocentres - 3 of 3 defined stereocentres

More details:

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

D-Isoleucine, N-[4-[[(4-hydroxy-2-methyl-6-quinazolinyl)methyl]-2-propyn-1-ylamino]benzoyl]-D-γ-glutamyl- [ACD/Index Name]
N-(4-{[(2-Methyl-4-oxo-1,4-dihydro-6-chinazolinyl)methyl](2-propin-1-yl)amino}benzoyl)-D-γ-glutamyl-D-isoleucin [German] [ACD/IUPAC Name]
N-(4-{[(2-Methyl-4-oxo-1,4-dihydro-6-quinazolinyl)methyl](2-propyn-1-yl)amino}benzoyl)-D-γ-glutamyl-D-isoleucine [ACD/IUPAC Name]
N-(4-{[(2-Méthyl-4-oxo-1,4-dihydro-6-quinazolinyl)méthyl](2-propyn-1-yl)amino}benzoyl)-D-γ-glutamyl-D-isoleucine [French] [ACD/IUPAC Name]

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

Density: 1.3±0.1 g/cm3
Boiling Point: 886.2±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 134.9±3.0 kJ/mol
Flash Point: 489.7±34.3 °C
Index of Refraction: 1.641
Molar Refractivity: 159.5±0.3 cm3
#H bond acceptors: 12
#H bond donors: 5
#Freely Rotating Bonds: 15
#Rule of 5 Violations: 3
ACD/LogP: 2.01
ACD/LogD (pH 5.5): -2.65
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -2.74
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 182 Å2
Polarizability: 63.2±0.5 10-24cm3
Surface Tension: 67.1±3.0 dyne/cm
Molar Volume: 441.9±3.0 cm3

Click to predict properties on the Chemicalize site


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