ChemSpider 2D Image | 2-[2,4-Bis(trifluoromethyl)phenyl]-N-[(3R)-2-oxo-5-phenyl-1-(2,2,2-trifluoroethyl)-2,3-dihydro-1H-1,4-benzodiazepin-3-yl]acetamide | C27H18F9N3O2

2-[2,4-Bis(trifluoromethyl)phenyl]-N-[(3R)-2-oxo-5-phenyl-1-(2,2,2-trifluoroethyl)-2,3-dihydro-1H-1,4-benzodiazepin-3-yl]acetamide

  • Molecular FormulaC27H18F9N3O2
  • Average mass587.436 Da
  • Monoisotopic mass587.125549 Da
  • ChemSpider ID8027093
  • defined stereocentres - 1 of 1 defined stereocentres


More details:






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

L 768673
2-[2,4-Bis(trifluormethyl)phenyl]-N-[(3R)-2-oxo-5-phenyl-1-(2,2,2-trifluorethyl)-2,3-dihydro-1H-1,4-benzodiazepin-3-yl]acetamid [German] [ACD/IUPAC Name]
2-[2,4-Bis(trifluoromethyl)phenyl]-N-[(3R)-2-oxo-5-phenyl-1-(2,2,2-trifluoroethyl)-2,3-dihydro-1H-1,4-benzodiazepin-3-yl]acetamide [ACD/IUPAC Name]
2-[2,4-Bis(trifluorométhyl)phényl]-N-[(3R)-2-oxo-5-phényl-1-(2,2,2-trifluoroéthyl)-2,3-dihydro-1H-1,4-benzodiazépin-3-yl]acétamide [French] [ACD/IUPAC Name]
Benzeneacetamide, N-[(3R)-2,3-dihydro-2-oxo-5-phenyl-1-(2,2,2-trifluoroethyl)-1H-1,4-benzodiazepin-3-yl]-2,4-bis(trifluoromethyl)- [ACD/Index Name]
2-(2,4-Bis-trifluoromethyl-phenyl)-N-[(R)-2-oxo-5-phenyl-1-(2,2,2-trifluoro-ethyl)-2,3-dihydro-1H-benzo[e][1,4]diazepin-3-yl]-acetamide
l-768,673
L-768673

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.4±0.1 g/cm3
Boiling Point: 633.9±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.9 mmHg at 25°C
Enthalpy of Vaporization: 93.7±3.0 kJ/mol
Flash Point: 337.2±31.5 °C
Index of Refraction: 1.543
Molar Refractivity: 129.0±0.5 cm3
#H bond acceptors: 5
#H bond donors: 1
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 2
ACD/LogP: 5.62
ACD/LogD (pH 5.5): 5.49
ACD/BCF (pH 5.5): 8827.19
ACD/KOC (pH 5.5): 23226.41
ACD/LogD (pH 7.4): 5.49
ACD/BCF (pH 7.4): 8829.07
ACD/KOC (pH 7.4): 23231.38
Polar Surface Area: 62 Å2
Polarizability: 51.1±0.5 10-24cm3
Surface Tension: 36.9±7.0 dyne/cm
Molar Volume: 409.3±7.0 cm3

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