ChemSpider 2D Image | (7R)-7-Benzyl-6-{[5-fluoro-2-(trifluoromethoxy)phenyl]sulfonyl}-6,7-dihydro-5H-imidazo[1,2-a]pyrazino[2,3-f][1,4]diazepine | C23H17F4N5O3S

(7R)-7-Benzyl-6-{[5-fluoro-2-(trifluoromethoxy)phenyl]sulfonyl}-6,7-dihydro-5H-imidazo[1,2-a]pyrazino[2,3-f][1,4]diazepine

  • Molecular FormulaC23H17F4N5O3S
  • Average mass519.471 Da
  • Monoisotopic mass519.098816 Da
  • ChemSpider ID58132955

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

(7R)-7-Benzyl-6-{[5-fluor-2-(trifluormethoxy)phenyl]sulfonyl}-6,7-dihydro-5H-imidazo[1,2-a]pyrazino[2,3-f][1,4]diazepin [German] [ACD/IUPAC Name]
(7R)-7-Benzyl-6-{[5-fluoro-2-(trifluoromethoxy)phenyl]sulfonyl}-6,7-dihydro-5H-imidazo[1,2-a]pyrazino[2,3-f][1,4]diazepine [ACD/IUPAC Name]
(7R)-7-Benzyl-6-{[5-fluoro-2-(trifluorométhoxy)phényl]sulfonyl}-6,7-dihydro-5H-imidazo[1,2-a]pyrazino[2,3-f][1,4]diazépine [French] [ACD/IUPAC Name]
5H-Imidazo[1,2-a]pyrazino[2,3-f][1,4]diazepine, 6-[[5-fluoro-2-(trifluoromethoxy)phenyl]sulfonyl]-6,7-dihydro-7-(phenylmethyl)-, (7R)- [ACD/Index Name]

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

Density: 1.5±0.1 g/cm3
Boiling Point: 676.3±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.1 mmHg at 25°C
Enthalpy of Vaporization: 99.3±3.0 kJ/mol
Flash Point: 362.8±34.3 °C
Index of Refraction: 1.652
Molar Refractivity: 124.0±0.5 cm3
#H bond acceptors: 8
#H bond donors: 0
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 1
ACD/LogP: 4.29
ACD/LogD (pH 5.5): 3.77
ACD/BCF (pH 5.5): 429.37
ACD/KOC (pH 5.5): 2667.78
ACD/LogD (pH 7.4): 3.77
ACD/BCF (pH 7.4): 429.49
ACD/KOC (pH 7.4): 2668.52
Polar Surface Area: 99 Å2
Polarizability: 49.2±0.5 10-24cm3
Surface Tension: 52.2±7.0 dyne/cm
Molar Volume: 339.2±7.0 cm3

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