Found 6 results

Search term: MF = 'C_{28}H_{29}F_{5}N_{4}O_{3}'
ChemSpider 2D Image | (2S,3R)-3-[(3,3-Difluorocyclobutyl)methyl]-N-[(3R)-9-methyl-2-oxo-5-phenyl-2,3-dihydro-1H-1,4-benzodiazepin-3-yl]-2-(3,3,3-trifluoropropyl)succinamide | C28H29F5N4O3

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

  • Molecular FormulaC28H29F5N4O3
  • Average mass564.547 Da
  • Monoisotopic mass564.216003 Da
  • ChemSpider ID98654776

  • defined stereocentres - 3 of 3 defined stereocentres

More details:

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

(2S,3R)-3-[(3,3-Difluorcyclobutyl)methyl]-N-[(3R)-9-methyl-2-oxo-5-phenyl-2,3-dihydro-1H-1,4-benzodiazepin-3-yl]-2-(3,3,3-trifluorpropyl)succinamid [German] [ACD/IUPAC Name]
(2S,3R)-3-[(3,3-Difluorocyclobutyl)methyl]-N-[(3R)-9-methyl-2-oxo-5-phenyl-2,3-dihydro-1H-1,4-benzodiazepin-3-yl]-2-(3,3,3-trifluoropropyl)succinamide [ACD/IUPAC Name]
(2S,3R)-3-[(3,3-Difluorocyclobutyl)méthyl]-N-[(3R)-9-méthyl-2-oxo-5-phényl-2,3-dihydro-1H-1,4-benzodiazépin-3-yl]-2-(3,3,3-trifluoropropyl)succinamide [French] [ACD/IUPAC Name]
Butanediamide, 3-[(3,3-difluorocyclobutyl)methyl]-N1-[(3R)-2,3-dihydro-9-methyl-2-oxo-5-phenyl-1H-1,4-benzodiazepin-3-yl]-2-(3,3,3-trifluoropropyl)-, (2S,3R)- [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: 750.0±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.5 mmHg at 25°C
Enthalpy of Vaporization: 109.3±3.0 kJ/mol
Flash Point: 407.4±32.9 °C
Index of Refraction: 1.600
Molar Refractivity: 135.3±0.5 cm3
#H bond acceptors: 7
#H bond donors: 4
#Freely Rotating Bonds: 10
#Rule of 5 Violations: 1
ACD/LogP: 1.79
ACD/LogD (pH 5.5): 2.43
ACD/BCF (pH 5.5): 41.51
ACD/KOC (pH 5.5): 500.62
ACD/LogD (pH 7.4): 2.43
ACD/BCF (pH 7.4): 41.62
ACD/KOC (pH 7.4): 501.94
Polar Surface Area: 114 Å2
Polarizability: 53.6±0.5 10-24cm3
Surface Tension: 44.7±7.0 dyne/cm
Molar Volume: 395.6±7.0 cm3

Click to predict properties on the Chemicalize site


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