Found 87 results

Search term: MF = 'C_{27}H_{33}F_{2}N_{3}O_{4}'
ChemSpider 2D Image | 3-[(3-endo)-8-(2-{(2,2-Difluoro-2-phenylethyl)[(2S)-2,3-dihydroxypropanoyl]amino}ethyl)-8-azabicyclo[3.2.1]oct-3-yl]benzamide | C27H33F2N3O4

3-[(3-endo)-8-(2-{(2,2-Difluoro-2-phenylethyl)[(2S)-2,3-dihydroxypropanoyl]amino}ethyl)-8-azabicyclo[3.2.1]oct-3-yl]benzamide

  • Molecular FormulaC27H33F2N3O4
  • Average mass501.565 Da
  • Monoisotopic mass501.243927 Da
  • ChemSpider ID76788979

  • defined stereocentres - 4 of 4 defined stereocentres

More details:

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

3-[(3-endo)-8-(2-{(2,2-Difluor-2-phenylethyl)[(2S)-2,3-dihydroxypropanoyl]amino}ethyl)-8-azabicyclo[3.2.1]oct-3-yl]benzamid [German] [ACD/IUPAC Name]
3-[(3-endo)-8-(2-{(2,2-Difluoro-2-phenylethyl)[(2S)-2,3-dihydroxypropanoyl]amino}ethyl)-8-azabicyclo[3.2.1]oct-3-yl]benzamide [ACD/IUPAC Name]
3-[(3-endo)-8-(2-{(2,2-Difluoro-2-phényléthyl)[(2S)-2,3-dihydroxypropanoyl]amino}éthyl)-8-azabicyclo[3.2.1]oct-3-yl]benzamide [French] [ACD/IUPAC Name]
Benzamide, 3-[(3-endo)-8-[2-[(2,2-difluoro-2-phenylethyl)[(2S)-2,3-dihydroxy-1-oxopropyl]amino]ethyl]-8-azabicyclo[3.2.1]oct-3-yl]- [ACD/Index Name]

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

Density: 1.3±0.1 g/cm3
Boiling Point: 712.9±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.4 mmHg at 25°C
Enthalpy of Vaporization: 109.4±3.0 kJ/mol
Flash Point: 385.0±32.9 °C
Index of Refraction: 1.588
Molar Refractivity: 130.9±0.3 cm3
#H bond acceptors: 7
#H bond donors: 4
#Freely Rotating Bonds: 10
#Rule of 5 Violations: 1
ACD/LogP: 2.68
ACD/LogD (pH 5.5): -0.96
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -0.12
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.99
Polar Surface Area: 107 Å2
Polarizability: 51.9±0.5 10-24cm3
Surface Tension: 53.2±3.0 dyne/cm
Molar Volume: 389.2±3.0 cm3

Click to predict properties on the Chemicalize site


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