ChemSpider 2D Image | 4-Amino-1,6-dihydro-5H-pyrimido[4,5-b][1,5]benzodiazepin-5-one | C11H9N5O

4-Amino-1,6-dihydro-5H-pyrimido[4,5-b][1,5]benzodiazepin-5-one

  • Molecular FormulaC11H9N5O
  • Average mass227.222 Da
  • Monoisotopic mass227.080704 Da
  • ChemSpider ID24808828

More details:

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

4-Amino-1,6-dihydro-5H-pyrimido[4,5-b][1,5]benzodiazepin-5-on [German] [ACD/IUPAC Name]
4-Amino-1,6-dihydro-5H-pyrimido[4,5-b][1,5]benzodiazepin-5-one [ACD/IUPAC Name]
4-Amino-1,6-dihydro-5H-pyrimido[4,5-b][1,5]benzodiazépin-5-one [French] [ACD/IUPAC Name]
5H-Pyrimido[4,5-b][1,5]benzodiazepin-5-one, 4-amino-6,11-dihydro- [ACD/Index Name]
Kinome_1670

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

Density: 1.4±0.1 g/cm3
Boiling Point: 413.7±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.0 mmHg at 25°C
Enthalpy of Vaporization: 66.7±3.0 kJ/mol
Flash Point: 204.0±28.7 °C
Index of Refraction: 1.682
Molar Refractivity: 61.0±0.3 cm3
#H bond acceptors: 6
#H bond donors: 4
#Freely Rotating Bonds: 0
#Rule of 5 Violations: 0
ACD/LogP: 0.98
ACD/LogD (pH 5.5): 1.20
ACD/BCF (pH 5.5): 4.70
ACD/KOC (pH 5.5): 103.17
ACD/LogD (pH 7.4): 1.23
ACD/BCF (pH 7.4): 5.07
ACD/KOC (pH 7.4): 111.19
Polar Surface Area: 93 Å2
Polarizability: 24.2±0.5 10-24cm3
Surface Tension: 69.5±3.0 dyne/cm
Molar Volume: 161.1±3.0 cm3

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