ChemSpider 2D Image | Elobixibat | C36H45N3O7S2

Elobixibat

  • Molecular FormulaC36H45N3O7S2
  • Average mass695.888 Da
  • Monoisotopic mass695.269897 Da
  • ChemSpider ID8115513
  • defined stereocentres - 1 of 1 defined stereocentres


More details:






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

439087-18-0 [RN]
865UEK4EJC
9414
A3309
AZD7806
elobixibat [Spanish] [INN]
élobixibat [French] [INN]
elobixibatum [Latin] [INN]
Glycine, N-[(2R)-2-[[2-[[3,3-dibutyl-2,3,4,5-tetrahydro-7-(methylthio)-1,1-dioxido-5-phenyl-1,5-benzothiazepin-8-yl]oxy]acetyl]amino]-2-phenylacetyl]- [ACD/Index Name]
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Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.3±0.1 g/cm3
Boiling Point: 969.6±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 148.0±3.0 kJ/mol
Flash Point: 540.2±34.3 °C
Index of Refraction: 1.634
Molar Refractivity: 189.1±0.4 cm3
#H bond acceptors: 10
#H bond donors: 3
#Freely Rotating Bonds: 16
#Rule of 5 Violations: 3
ACD/LogP: 7.11
ACD/LogD (pH 5.5): 2.92
ACD/BCF (pH 5.5): 24.74
ACD/KOC (pH 5.5): 67.78
ACD/LogD (pH 7.4): 1.75
ACD/BCF (pH 7.4): 1.66
ACD/KOC (pH 7.4): 4.54
Polar Surface Area: 176 Å2
Polarizability: 75.0±0.5 10-24cm3
Surface Tension: 64.6±5.0 dyne/cm
Molar Volume: 529.1±5.0 cm3

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