ChemSpider 2D Image | 2-{[4'-Fluoro-3-({methyl[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]amino}methyl)-4-biphenylyl]oxy}-N-(2-methyl-1,3-benzothiazol-5-yl)acetamide | C28H26FN5O3S

2-{[4'-Fluoro-3-({methyl[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]amino}methyl)-4-biphenylyl]oxy}-N-(2-methyl-1,3-benzothiazol-5-yl)acetamide

  • Molecular FormulaC28H26FN5O3S
  • Average mass531.601 Da
  • Monoisotopic mass531.174011 Da
  • ChemSpider ID22195872

More details:

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

2-{[4'-Fluor-3-({methyl[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]amino}methyl)-4-biphenylyl]oxy}-N-(2-methyl-1,3-benzothiazol-5-yl)acetamid [German] [ACD/IUPAC Name]
2-{[4'-Fluoro-3-({methyl[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]amino}methyl)-4-biphenylyl]oxy}-N-(2-methyl-1,3-benzothiazol-5-yl)acetamide [ACD/IUPAC Name]
2-{[4'-Fluoro-3-({méthyl[(4-méthyl-1,2,5-oxadiazol-3-yl)méthyl]amino}méthyl)-4-biphénylyl]oxy}-N-(2-méthyl-1,3-benzothiazol-5-yl)acétamide [French] [ACD/IUPAC Name]
Acetamide, 2-[[4'-fluoro-3-[[methyl[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]amino]methyl][1,1'-biphenyl]-4-yl]oxy]-N-(2-methyl-5-benzothiazolyl)- [ACD/Index Name]

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

Density: 1.3±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.659
Molar Refractivity: 146.2±0.3 cm3
#H bond acceptors: 8
#H bond donors: 1
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 1
ACD/LogP: 4.12
ACD/LogD (pH 5.5): 4.22
ACD/BCF (pH 5.5): 955.05
ACD/KOC (pH 5.5): 4724.96
ACD/LogD (pH 7.4): 4.22
ACD/BCF (pH 7.4): 957.09
ACD/KOC (pH 7.4): 4735.06
Polar Surface Area: 122 Å2
Polarizability: 58.0±0.5 10-24cm3
Surface Tension: 58.6±3.0 dyne/cm
Molar Volume: 396.3±3.0 cm3

Click to predict properties on the Chemicalize site


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