ChemSpider 2D Image | 4-(3-{4-[(Benzyl{2-methyl-3-[(methylsulfonyl)amino]phenyl}amino)methyl]phenoxy}phenoxy)butanoic acid | C32H34N2O6S

4-(3-{4-[(Benzyl{2-methyl-3-[(methylsulfonyl)amino]phenyl}amino)methyl]phenoxy}phenoxy)butanoic acid

  • Molecular FormulaC32H34N2O6S
  • Average mass574.687 Da
  • Monoisotopic mass574.213745 Da
  • ChemSpider ID13260478

More details:

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

4-(3-{4-[(Benzyl{2-methyl-3-[(methylsulfonyl)amino]phenyl}amino)methyl]phenoxy}phenoxy)butanoic acid [ACD/IUPAC Name]
4-(3-{4-[(Benzyl{2-methyl-3-[(methylsulfonyl)amino]phenyl}amino)methyl]phenoxy}phenoxy)butansäure [German] [ACD/IUPAC Name]
Acide 4-(3-{4-[(benzyl{2-méthyl-3-[(méthylsulfonyl)amino]phényl}amino)méthyl]phénoxy}phénoxy)butanoïque [French] [ACD/IUPAC Name]
Butanoic acid, 4-[3-[4-[[[2-methyl-3-[(methylsulfonyl)amino]phenyl](phenylmethyl)amino]methyl]phenoxy]phenoxy]- [ACD/Index Name]
4-[3-(4-{[Benzyl-(3-methanesulfonylamino-2-methyl-phenyl)-amino]-methyl}-phenoxy)-phenoxy]-butyric acid
CHEMBL185125

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

Density: 1.3±0.1 g/cm3
Boiling Point: 770.3±70.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.8 mmHg at 25°C
Enthalpy of Vaporization: 117.6±3.0 kJ/mol
Flash Point: 419.7±35.7 °C
Index of Refraction: 1.637
Molar Refractivity: 159.4±0.4 cm3
#H bond acceptors: 8
#H bond donors: 2
#Freely Rotating Bonds: 14
#Rule of 5 Violations: 2
ACD/LogP: 6.94
ACD/LogD (pH 5.5): 5.03
ACD/BCF (pH 5.5): 2296.73
ACD/KOC (pH 5.5): 4731.85
ACD/LogD (pH 7.4): 3.22
ACD/BCF (pH 7.4): 35.50
ACD/KOC (pH 7.4): 73.14
Polar Surface Area: 114 Å2
Polarizability: 63.2±0.5 10-24cm3
Surface Tension: 57.3±3.0 dyne/cm
Molar Volume: 444.3±3.0 cm3

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