ChemSpider 2D Image | (2R)-6,6,6-Trifluoro-3-[(1-methyl-2-oxo-5-phenyl-2,3-dihydro-1H-1,4-benzodiazepin-3-yl)carbamoyl]-2-(3,3,3-trifluoropropyl)hexanimidic acid | C26H26F6N4O3

(2R)-6,6,6-Trifluoro-3-[(1-methyl-2-oxo-5-phenyl-2,3-dihydro-1H-1,4-benzodiazepin-3-yl)carbamoyl]-2-(3,3,3-trifluoropropyl)hexanimidic acid

  • Molecular FormulaC26H26F6N4O3
  • Average mass556.500 Da
  • Monoisotopic mass556.190918 Da
  • ChemSpider ID68025205

  • defined stereocentres - 1 of 3 defined stereocentres

More details:

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

(2R)-6,6,6-Trifluor-3-[(1-methyl-2-oxo-5-phenyl-2,3-dihydro-1H-1,4-benzodiazepin-3-yl)carbamoyl]-2-(3,3,3-trifluorpropyl)hexanimidsäure [German] [ACD/IUPAC Name]
(2R)-6,6,6-Trifluoro-3-[(1-methyl-2-oxo-5-phenyl-2,3-dihydro-1H-1,4-benzodiazepin-3-yl)carbamoyl]-2-(3,3,3-trifluoropropyl)hexanimidic acid [ACD/IUPAC Name]
Acide (2R)-6,6,6-trifluoro-3-[(1-méthyl-2-oxo-5-phényl-2,3-dihydro-1H-1,4-benzodiazépin-3-yl)carbamoyl]-2-(3,3,3-trifluoropropyl)hexanimidique [French] [ACD/IUPAC Name]
Hexanimidic acid, 3-[[(2,3-dihydro-1-methyl-2-oxo-5-phenyl-1H-1,4-benzodiazepin-3-yl)amino]carbonyl]-6,6,6-trifluoro-2-(3,3,3-trifluoropropyl)-, (2R)- [ACD/Index Name]
BMS-906024 [Wiki]

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

Density: 1.4±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.558
Molar Refractivity: 129.4±0.5 cm3
#H bond acceptors: 7
#H bond donors: 3
#Freely Rotating Bonds: 11
#Rule of 5 Violations: 1
ACD/LogP: 2.48
ACD/LogD (pH 5.5): 0.54
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 3.46
ACD/LogD (pH 7.4): 0.54
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 3.41
Polar Surface Area: 106 Å2
Polarizability: 51.3±0.5 10-24cm3
Surface Tension: 41.0±7.0 dyne/cm
Molar Volume: 401.0±7.0 cm3

Click to predict properties on the Chemicalize site


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