ChemSpider 2D Image | 4-Methoxy-6-phenyl-1H-pyrimido[4,5-b][1,4]benzodiazepin-2-amine | C18H15N5O

4-Methoxy-6-phenyl-1H-pyrimido[4,5-b][1,4]benzodiazepin-2-amine

  • Molecular FormulaC18H15N5O
  • Average mass317.345 Da
  • Monoisotopic mass317.127655 Da
  • ChemSpider ID24726325

More details:

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

11H-Pyrimido[4,5-b][1,4]benzodiazepin-2-amine, 4-methoxy-6-phenyl- [ACD/Index Name]
4-Methoxy-6-phenyl-1H-pyrimido[4,5-b][1,4]benzodiazepin-2-amin [German] [ACD/IUPAC Name]
4-Methoxy-6-phenyl-1H-pyrimido[4,5-b][1,4]benzodiazepin-2-amine [ACD/IUPAC Name]
4-Méthoxy-6-phényl-1H-pyrimido[4,5-b][1,4]benzodiazépin-2-amine [French] [ACD/IUPAC 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: 577.0±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.6 mmHg at 25°C
Enthalpy of Vaporization: 86.4±3.0 kJ/mol
Flash Point: 302.8±32.9 °C
Index of Refraction: 1.720
Molar Refractivity: 90.6±0.5 cm3
#H bond acceptors: 6
#H bond donors: 3
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 0
ACD/LogP: 3.80
ACD/LogD (pH 5.5): 3.04
ACD/BCF (pH 5.5): 109.05
ACD/KOC (pH 5.5): 893.18
ACD/LogD (pH 7.4): 3.21
ACD/BCF (pH 7.4): 161.49
ACD/KOC (pH 7.4): 1322.60
Polar Surface Area: 85 Å2
Polarizability: 35.9±0.5 10-24cm3
Surface Tension: 56.1±7.0 dyne/cm
Molar Volume: 229.5±7.0 cm3

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