ChemSpider 2D Image | Elobixibat | C36H45N3O7S2

Elobixibat

  • Molecular FormulaC36H45N3O7S2
  • Average mass695.888 Da
  • Monoisotopic mass695.269897 Da
  • ChemSpider ID64880707

More details:

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

Elobixibat [INN] [USAN] [Wiki]
Glycine, N-[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]
N-{[({[3,3-Dibutyl-7-(methylsulfanyl)-1,1-dioxido-5-phenyl-2,3,4,5-tetrahydro-1,5-benzothiazepin-8-yl]oxy}acetyl)amino](phenyl)acetyl}glycin [German] [ACD/IUPAC Name]
N-{[({[3,3-Dibutyl-7-(methylsulfanyl)-1,1-dioxido-5-phenyl-2,3,4,5-tetrahydro-1,5-benzothiazepin-8-yl]oxy}acetyl)amino](phenyl)acetyl}glycine [ACD/IUPAC Name]
N-{2-[(2-{[3,3-Dibutyl-7-(méthylsulfanyl)-1,1-dioxydo-5-phényl-2,3,4,5-tétrahydro-1,5-benzothiazépin-8-yl]oxy}acétyl)amino]-2-phénylacétyl}glycine [French] [ACD/IUPAC Name]
439087-18-0 [RN]
865UEK4EJC
D10796
Elobixibat (USAN/INN)

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

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

Click to predict properties on the Chemicalize site


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