ChemSpider 2D Image | [(4-{(2R)-2-(1,3-Benzoxazol-2-yl)-2-[(4-fluorophenyl)sulfamoyl]ethyl}phenyl)amino](oxo)acetic acid | C23H18FN3O6S

[(4-{(2R)-2-(1,3-Benzoxazol-2-yl)-2-[(4-fluorophenyl)sulfamoyl]ethyl}phenyl)amino](oxo)acetic acid

  • Molecular FormulaC23H18FN3O6S
  • Average mass483.469 Da
  • Monoisotopic mass483.090027 Da
  • ChemSpider ID30788760
  • defined stereocentres - 1 of 1 defined stereocentres


More details:






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

[(4-{(2R)-2-(1,3-Benzoxazol-2-yl)-2-[(4-fluorophenyl)sulfamoyl]ethyl}phenyl)amino](oxo)acetic acid [ACD/IUPAC Name]
[(4-{(2R)-2-(1,3-Benzoxazol-2-yl)-2-[(4-fluorphenyl)sulfamoyl]ethyl}phenyl)amino](oxo)essigsäure [German] [ACD/IUPAC Name]
Acetic acid, 2-[[4-[(2R)-2-(2-benzoxazolyl)-2-[[(4-fluorophenyl)amino]sulfonyl]ethyl]phenyl]amino]-2-oxo- [ACD/Index Name]
Acide [(4-{(2R)-2-(1,3-benzoxazol-2-yl)-2-[(4-fluorophényl)sulfamoyl]éthyl}phényl)amino](oxo)acétique [French] [ACD/IUPAC Name]

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.6±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.703
Molar Refractivity: 120.5±0.4 cm3
#H bond acceptors: 9
#H bond donors: 3
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 0
ACD/LogP: 3.79
ACD/LogD (pH 5.5): -0.97
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -1.70
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 147 Å2
Polarizability: 47.8±0.5 10-24cm3
Surface Tension: 75.8±3.0 dyne/cm
Molar Volume: 310.6±3.0 cm3

Click to predict properties on the Chemicalize site






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