ChemSpider 2D Image | GSK-2485852 | C27H25BF2N2O6S

GSK-2485852

  • Molecular FormulaC27H25BF2N2O6S
  • Average mass554.370 Da
  • Monoisotopic mass554.149414 Da
  • ChemSpider ID31138315

More details:

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

[4-({[5-Cyclopropyl-2-(4-fluorophenyl)-3-(methylcarbamoyl)-1-benzofuran-6-yl](methylsulfonyl)amino}methyl)-2-fluorophenyl]boronic acid [ACD/IUPAC Name]
[4-({[5-Cyclopropyl-2-(4-fluorphenyl)-3-(methylcarbamoyl)-1-benzofuran-6-yl](methylsulfonyl)amino}methyl)-2-fluorphenyl]borsäure [German] [ACD/IUPAC Name]
1331942-30-3 [RN]
Acide [4-({[5-cyclopropyl-2-(4-fluorophényl)-3-(méthylcarbamoyl)-1-benzofuran-6-yl](méthylsulfonyl)amino}méthyl)-2-fluorophényl]boronique [French] [ACD/IUPAC Name]
Boronic acid, B-[4-[[[5-cyclopropyl-2-(4-fluorophenyl)-3-[(methylamino)carbonyl]-6-benzofuranyl](methylsulfonyl)amino]methyl]-2-fluorophenyl]- [ACD/Index Name]
GSK-2485852
[4-[[[5-cyclopropyl-2-(4-fluorophenyl)-3-(methylcarbamoyl)-1-benzofuran-6-yl]-methylsulfonylamino]methyl]-2-fluorophenyl]boronic acid
1PV

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

6G04C5ZNQJ [DBID]
UNII:6G04C5ZNQJ [DBID]

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

Density: 1.5±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.670
Molar Refractivity: 139.8±0.4 cm3
#H bond acceptors: 8
#H bond donors: 3
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 1
ACD/LogP: 3.90
ACD/LogD (pH 5.5): 3.59
ACD/BCF (pH 5.5): 312.88
ACD/KOC (pH 5.5): 2126.21
ACD/LogD (pH 7.4): 3.54
ACD/BCF (pH 7.4): 278.37
ACD/KOC (pH 7.4): 1891.66
Polar Surface Area: 128 Å2
Polarizability: 55.4±0.5 10-24cm3
Surface Tension: 68.4±5.0 dyne/cm
Molar Volume: 374.0±5.0 cm3

Click to predict properties on the Chemicalize site


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