ChemSpider 2D Image | [(4-{Butyl[2-methyl-4'-(methylsulfanyl)-3-biphenylyl]sulfamoyl}-1-naphthyl)oxy]acetic acid | C30H31NO5S2

[(4-{Butyl[2-methyl-4'-(methylsulfanyl)-3-biphenylyl]sulfamoyl}-1-naphthyl)oxy]acetic acid

  • Molecular FormulaC30H31NO5S2
  • Average mass549.701 Da
  • Monoisotopic mass549.164368 Da
  • ChemSpider ID26325488

More details:

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

[(4-{Butyl[2-methyl-4'-(methylsulfanyl)-3-biphenylyl]sulfamoyl}-1-naphthyl)oxy]acetic acid [ACD/IUPAC Name]
[(4-{Butyl[2-methyl-4'-(methylsulfanyl)-3-biphenylyl]sulfamoyl}-1-naphthyl)oxy]essigsäure [German] [ACD/IUPAC Name]
[(4-{butyl[2-Methyl-4'-(Methylsulfanyl)biphenyl-3-Yl]sulfamoyl}naphthalen-1-Yl)oxy]acetic Acid
Acetic acid, 2-[[4-[[butyl[2-methyl-4'-(methylthio)[1,1'-biphenyl]-3-yl]amino]sulfonyl]-1-naphthalenyl]oxy]- [ACD/Index Name]
Acide [(4-{butyl[2-méthyl-4'-(méthylsulfanyl)-3-biphénylyl]sulfamoyl}-1-naphtyl)oxy]acétique [French] [ACD/IUPAC Name]
3EQ

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

Density: 1.3±0.1 g/cm3
Boiling Point: 735.3±70.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.5 mmHg at 25°C
Enthalpy of Vaporization: 112.6±3.0 kJ/mol
Flash Point: 398.5±35.7 °C
Index of Refraction: 1.679
Molar Refractivity: 154.9±0.4 cm3
#H bond acceptors: 6
#H bond donors: 1
#Freely Rotating Bonds: 11
#Rule of 5 Violations: 2
ACD/LogP: 7.20
ACD/LogD (pH 5.5): 3.78
ACD/BCF (pH 5.5): 105.50
ACD/KOC (pH 5.5): 181.79
ACD/LogD (pH 7.4): 2.67
ACD/BCF (pH 7.4): 8.21
ACD/KOC (pH 7.4): 14.14
Polar Surface Area: 118 Å2
Polarizability: 61.4±0.5 10-24cm3
Surface Tension: 66.3±5.0 dyne/cm
Molar Volume: 410.3±5.0 cm3

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