ChemSpider 2D Image | 1-[(5-{4-[(1-Benzyl-1H-indazol-5-yl)amino]-6-quinazolinyl}-2-furyl)methyl]-L-prolinamide | C32H29N7O2

1-[(5-{4-[(1-Benzyl-1H-indazol-5-yl)amino]-6-quinazolinyl}-2-furyl)methyl]-L-prolinamide

  • Molecular FormulaC32H29N7O2
  • Average mass543.618 Da
  • Monoisotopic mass543.238281 Da
  • ChemSpider ID8004552

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

1-[(5-{4-[(1-Benzyl-1H-indazol-5-yl)amino]-6-chinazolinyl}-2-furyl)methyl]-L-prolinamid [German] [ACD/IUPAC Name]
1-[(5-{4-[(1-Benzyl-1H-indazol-5-yl)amino]-6-quinazolinyl}-2-furyl)methyl]-L-prolinamide [ACD/IUPAC Name]
1-[(5-{4-[(1-Benzyl-1H-indazol-5-yl)amino]-6-quinazolinyl}-2-furyl)méthyl]-L-prolinamide [French] [ACD/IUPAC Name]
2-Pyrrolidinecarboxamide, 1-[[5-[4-[[1-(phenylmethyl)-1H-indazol-5-yl]amino]-6-quinazolinyl]-2-furanyl]methyl]-, (2S)- [ACD/Index Name]

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

Density: 1.4±0.1 g/cm3
Boiling Point: 787.2±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.7 mmHg at 25°C
Enthalpy of Vaporization: 114.5±3.0 kJ/mol
Flash Point: 429.9±32.9 °C
Index of Refraction: 1.739
Molar Refractivity: 156.5±0.5 cm3
#H bond acceptors: 9
#H bond donors: 3
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 1
ACD/LogP: 3.69
ACD/LogD (pH 5.5): 2.22
ACD/BCF (pH 5.5): 10.49
ACD/KOC (pH 5.5): 56.55
ACD/LogD (pH 7.4): 3.91
ACD/BCF (pH 7.4): 507.54
ACD/KOC (pH 7.4): 2736.52
Polar Surface Area: 115 Å2
Polarizability: 62.0±0.5 10-24cm3
Surface Tension: 61.2±7.0 dyne/cm
Molar Volume: 388.2±7.0 cm3

Click to predict properties on the Chemicalize site


Advertisement