ChemSpider 2D Image | CNS-7054 | C20H17BrN4O2

CNS-7054

  • Molecular FormulaC20H17BrN4O2
  • Average mass425.279 Da
  • Monoisotopic mass424.053467 Da
  • ChemSpider ID32697517

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

0HXB5NG8TY
3-[(4S)-8-Brom-1-methyl-6-(2-pyridinyl)-4H-imidazo[1,2-a][1,4]benzodiazepin-4-yl]propansäure [German] [ACD/IUPAC Name]
3-[(4S)-8-Bromo-1-methyl-6-(2-pyridinyl)-4H-imidazo[1,2-a][1,4]benzodiazepin-4-yl]propanoic acid [ACD/IUPAC Name]
4H-Imidazo[1,2-a][1,4]benzodiazepine-4-propanoic acid, 8-bromo-1-methyl-6-(2-pyridinyl)-, (4S)- [ACD/Index Name]
960305-91-3 [RN]
Acide 3-[(4S)-8-bromo-1-méthyl-6-(2-pyridinyl)-4H-imidazo[1,2-a][1,4]benzodiazépin-4-yl]propanoïque [French] [ACD/IUPAC Name]
CNS-7054
UNII:0HXB5NG8TY
UNII-0HXB5NG8TY

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

Density: 1.6±0.1 g/cm3
Boiling Point: 646.7±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.0 mmHg at 25°C
Enthalpy of Vaporization: 100.2±3.0 kJ/mol
Flash Point: 344.9±34.3 °C
Index of Refraction: 1.715
Molar Refractivity: 106.7±0.5 cm3
#H bond acceptors: 6
#H bond donors: 1
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 0
ACD/LogP: 2.85
ACD/LogD (pH 5.5): 1.41
ACD/BCF (pH 5.5): 3.19
ACD/KOC (pH 5.5): 31.55
ACD/LogD (pH 7.4): 0.08
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.45
Polar Surface Area: 80 Å2
Polarizability: 42.3±0.5 10-24cm3
Surface Tension: 57.6±7.0 dyne/cm
Molar Volume: 271.6±7.0 cm3

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