ChemSpider 2D Image | 2-({4-[2-({8-[(2,4-Difluorophenyl)amino]-8-oxooctyl}amino)ethyl]phenyl}sulfanyl)-2-methylpropanoic acid | C26H34F2N2O3S

2-({4-[2-({8-[(2,4-Difluorophenyl)amino]-8-oxooctyl}amino)ethyl]phenyl}sulfanyl)-2-methylpropanoic acid

  • Molecular FormulaC26H34F2N2O3S
  • Average mass492.622 Da
  • Monoisotopic mass492.225830 Da
  • ChemSpider ID113461602

More details:

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

2-({4-[2-({8-[(2,4-Difluorophenyl)amino]-8-oxooctyl}amino)ethyl]phenyl}sulfanyl)-2-methylpropanoic acid [ACD/IUPAC Name]
2-({4-[2-({8-[(2,4-Difluorphenyl)amino]-8-oxooctyl}amino)ethyl]phenyl}sulfanyl)-2-methylpropansäure [German] [ACD/IUPAC Name]
Acide 2-({4-[2-({8-[(2,4-difluorophényl)amino]-8-oxooctyl}amino)éthyl]phényl}sulfanyl)-2-méthylpropanoïque [French] [ACD/IUPAC Name]
Propanoic acid, 2-[[4-[2-[[8-[(2,4-difluorophenyl)amino]-8-oxooctyl]amino]ethyl]phenyl]thio]-2-methyl- [ACD/Index Name]
2-({4-[2-({7-[(2,4-difluorophenyl)carbamoyl]heptyl}amino)ethyl]phenyl}sulfanyl)-2-methylpropanoic acid
247923-29-1 [RN]
Propanoic acid, 2-[[4-[2-[[[(2,4-difluorophenyl)amino]carbonyl]heptylamino]ethyl]phenyl]thio]-2-methyl- [ACD/Index Name]

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

Density: 1.2±0.1 g/cm3
Boiling Point: 653.6±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.1 mmHg at 25°C
Enthalpy of Vaporization: 101.2±3.0 kJ/mol
Flash Point: 349.1±31.5 °C
Index of Refraction: 1.570
Molar Refractivity: 133.6±0.4 cm3
#H bond acceptors: 5
#H bond donors: 3
#Freely Rotating Bonds: 15
#Rule of 5 Violations: 1
ACD/LogP: 5.18
ACD/LogD (pH 5.5): 2.72
ACD/BCF (pH 5.5): 17.11
ACD/KOC (pH 5.5): 51.57
ACD/LogD (pH 7.4): 2.72
ACD/BCF (pH 7.4): 17.31
ACD/KOC (pH 7.4): 52.15
Polar Surface Area: 104 Å2
Polarizability: 53.0±0.5 10-24cm3
Surface Tension: 50.3±5.0 dyne/cm
Molar Volume: 407.0±5.0 cm3

Click to predict properties on the Chemicalize site


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