ChemSpider 2D Image | GSK2018682 | C22H21ClN4O4

GSK2018682

  • Molecular FormulaC22H21ClN4O4
  • Average mass440.879 Da
  • Monoisotopic mass440.125122 Da
  • ChemSpider ID25069569

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

1034688-30-6 [RN]
1H-Indole-1-butanoic acid, 4-[5-[5-chloro-6-(1-methylethoxy)-3-pyridinyl]-1,2,4-oxadiazol-3-yl]- [ACD/Index Name]
4-(4-{5-[5-chloro-6-(propan-2-yloxy)pyridin-3-yl]-1,2,4-oxadiazol-3-yl}-1H-indol-1-yl)butanoic acid
4-{4-[5-(5-Chlor-6-isopropoxy-3-pyridinyl)-1,2,4-oxadiazol-3-yl]-1H-indol-1-yl}butansäure [German] [ACD/IUPAC Name]
4-{4-[5-(5-Chloro-6-isopropoxy-3-pyridinyl)-1,2,4-oxadiazol-3-yl]-1H-indol-1-yl}butanoic acid [ACD/IUPAC Name]
4-{4-[5-(5-chloro-6-isopropoxypyridin-3-yl)-1,2,4-oxadiazol-3-yl]indol-1-yl}butanoic acid
Acide 4-{4-[5-(5-chloro-6-isopropoxy-3-pyridinyl)-1,2,4-oxadiazol-3-yl]-1H-indol-1-yl}butanoïque [French] [ACD/IUPAC Name]
GSK2018682
GSK-2018682
4-(4-(5-(5-chloro-6-isopropoxypyridin-3-yl)-1,2,4-oxadiazol-3-yl)-1H-indol-1-yl)butanoic acid
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Validated by Experts, Validated by Users, Non-Validated, Removed by Users

NJL503AIJA [DBID]
UNII:NJL503AIJA [DBID]

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

Density: 1.4±0.1 g/cm3
Boiling Point: 666.9±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.1 mmHg at 25°C
Enthalpy of Vaporization: 103.0±3.0 kJ/mol
Flash Point: 357.2±34.3 °C
Index of Refraction: 1.662
Molar Refractivity: 115.6±0.5 cm3
#H bond acceptors: 8
#H bond donors: 1
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 1
ACD/LogP: 6.04
ACD/LogD (pH 5.5): 3.71
ACD/BCF (pH 5.5): 244.63
ACD/KOC (pH 5.5): 1031.89
ACD/LogD (pH 7.4): 1.91
ACD/BCF (pH 7.4): 3.89
ACD/KOC (pH 7.4): 16.41
Polar Surface Area: 103 Å2
Polarizability: 45.8±0.5 10-24cm3
Surface Tension: 52.6±7.0 dyne/cm
Molar Volume: 312.5±7.0 cm3

Click to predict properties on the Chemicalize site


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