ChemSpider 2D Image | (2R,3S)-N-[(3S)-9-Methyl-2-oxo-5-phenyl-2,3-dihydro-1H-1,4-benzodiazepin-3-yl]-2,3-bis(3,3,3-trifluoropropyl)succinamide | C26H26F6N4O3

(2R,3S)-N-[(3S)-9-Methyl-2-oxo-5-phenyl-2,3-dihydro-1H-1,4-benzodiazepin-3-yl]-2,3-bis(3,3,3-trifluoropropyl)succinamide

  • Molecular FormulaC26H26F6N4O3
  • Average mass556.500 Da
  • Monoisotopic mass556.190918 Da
  • ChemSpider ID76775754

  • defined stereocentres - 3 of 3 defined stereocentres

More details:

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

(2R,3S)-N-[(3S)-9-Methyl-2-oxo-5-phenyl-2,3-dihydro-1H-1,4-benzodiazepin-3-yl]-2,3-bis(3,3,3-trifluoropropyl)succinamide [ACD/IUPAC Name]
(2R,3S)-N-[(3S)-9-Méthyl-2-oxo-5-phényl-2,3-dihydro-1H-1,4-benzodiazépin-3-yl]-2,3-bis(3,3,3-trifluoropropyl)succinamide [French] [ACD/IUPAC Name]
(2R,3S)-N-[(3S)-9-Methyl-2-oxo-5-phenyl-2,3-dihydro-1H-1,4-benzodiazepin-3-yl]-2,3-bis(3,3,3-trifluorpropyl)succinamid [German] [ACD/IUPAC Name]
Butanediamide, N1-[(3S)-2,3-dihydro-9-methyl-2-oxo-5-phenyl-1H-1,4-benzodiazepin-3-yl]-2,3-bis(3,3,3-trifluoropropyl)-, (2R,3S)- [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: 712.5±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.3 mmHg at 25°C
Enthalpy of Vaporization: 104.2±3.0 kJ/mol
Flash Point: 384.7±32.9 °C
Index of Refraction: 1.564
Molar Refractivity: 128.5±0.5 cm3
#H bond acceptors: 7
#H bond donors: 4
#Freely Rotating Bonds: 11
#Rule of 5 Violations: 1
ACD/LogP: 2.42
ACD/LogD (pH 5.5): 3.32
ACD/BCF (pH 5.5): 197.82
ACD/KOC (pH 5.5): 1530.89
ACD/LogD (pH 7.4): 3.33
ACD/BCF (pH 7.4): 198.33
ACD/KOC (pH 7.4): 1534.84
Polar Surface Area: 114 Å2
Polarizability: 50.9±0.5 10-24cm3
Surface Tension: 41.2±7.0 dyne/cm
Molar Volume: 394.9±7.0 cm3

Click to predict properties on the Chemicalize site


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