ChemSpider 2D Image | BMS-906024 | C26H26F6N4O3

BMS-906024

  • Molecular FormulaC26H26F6N4O3
  • Average mass556.500 Da
  • Monoisotopic mass556.190918 Da
  • ChemSpider ID28536138
  • defined stereocentres - 3 of 3 defined stereocentres


More details:






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

(2R,3S)-N-[(3S)-1-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)-1-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)-1-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]
1401066-79-2 [RN]
BMS-906024 [Wiki]
Butanediamide, N1-[(3S)-2,3-dihydro-1-methyl-2-oxo-5-phenyl-1H-1,4-benzodiazepin-3-yl]-2,3-bis(3,3,3-trifluoropropyl)-, (2R,3S)- [ACD/Index Name]
DRL23N424R
T67 GNVJN IHJ G1 IMVY2XFFFY2XFFFVZ KR &&(2R,3S)-(3S)- Form [WLN]
(2R,3S)-N1-((S)-1-methyl-2-oxo-5-phenyl-2,3-dihydro-1H-benzo[e][1,4]diazepin-3-yl)-2,3-bis(3,3,3-trifluoropropyl)succinamide
(2S,3R)-N'-[(3S)-1-methyl-2-oxo-5-phenyl-3H-1,4-benzodiazepin-3-yl]-2,3-bis(3,3,3-trifluoropropyl)butanediamide
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Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.4±0.1 g/cm3
Boiling Point: 726.3±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.4 mmHg at 25°C
Enthalpy of Vaporization: 106.1±3.0 kJ/mol
Flash Point: 393.0±32.9 °C
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: 2.10
ACD/LogD (pH 5.5): 3.15
ACD/BCF (pH 5.5): 146.86
ACD/KOC (pH 5.5): 1237.44
ACD/LogD (pH 7.4): 3.15
ACD/BCF (pH 7.4): 147.04
ACD/KOC (pH 7.4): 1238.96
Polar Surface Area: 105 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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