ChemSpider 2D Image | adomeglivant | C32H36F3NO4

adomeglivant

  • Molecular FormulaC32H36F3NO4
  • Average mass555.628 Da
  • Monoisotopic mass555.259644 Da
  • ChemSpider ID35293687

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

1488363-78-5 [RN]
3-({4-[(1S)-1-({4'-tert-butyl-2,6-dimethyl-[1,1'-biphenyl]-4-yl}oxy)-4,4,4-trifluorobutyl]phenyl}formamido)propanoic acid
3-(4-{(1S)-1-[(4'-tert-butyl-2,6-dimethylbiphenyl-4-yl)oxy]-4,4,4-trifluorobutyl}benzamido)propanoic acid
74Z5ZL2KVG
adomeglivant [INN] [USAN]
adomeglivant [Spanish] [INN]
adoméglivant [French] [INN]
adomeglivantum [Latin] [INN]
LY2409021
N-{4-[(1S)-1-{[2,6-Dimethyl-4'-(2-methyl-2-propanyl)-4-biphenylyl]oxy}-4,4,4-trifluorbutyl]benzoyl}-β-alanin [German] [ACD/IUPAC Name]
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Validated by Experts, Validated by Users, Non-Validated, Removed by Users

10202 [DBID]

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

Density: 1.2±0.1 g/cm3
Boiling Point: 656.7±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.1 mmHg at 25°C
Enthalpy of Vaporization: 101.6±3.0 kJ/mol
Flash Point: 350.9±31.5 °C
Index of Refraction: 1.542
Molar Refractivity: 148.9±0.3 cm3
#H bond acceptors: 5
#H bond donors: 2
#Freely Rotating Bonds: 12
#Rule of 5 Violations: 2
ACD/LogP: 7.53
ACD/LogD (pH 5.5): 5.68
ACD/BCF (pH 5.5): 5739.80
ACD/KOC (pH 5.5): 7051.20
ACD/LogD (pH 7.4): 3.91
ACD/BCF (pH 7.4): 98.17
ACD/KOC (pH 7.4): 120.60
Polar Surface Area: 76 Å2
Polarizability: 59.0±0.5 10-24cm3
Surface Tension: 39.8±3.0 dyne/cm
Molar Volume: 473.3±3.0 cm3

Click to predict properties on the Chemicalize site


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