ChemSpider 2D Image | Methyl 5-{[(butylsulfonyl)(1-{[4-(diethylamino)-2-methylphenyl]amino}-3-methyl-1-oxo-2-pentanyl)amino]methyl}-2-furoate | C28H43N3O6S

Methyl 5-{[(butylsulfonyl)(1-{[4-(diethylamino)-2-methylphenyl]amino}-3-methyl-1-oxo-2-pentanyl)amino]methyl}-2-furoate

  • Molecular FormulaC28H43N3O6S
  • Average mass549.722 Da
  • Monoisotopic mass549.287231 Da
  • ChemSpider ID125043472

More details:

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

2-Furancarboxylic acid, 5-[[(butylsulfonyl)[1-[[[4-(diethylamino)-2-methylphenyl]amino]carbonyl]-2-methylbutyl]amino]methyl]-, methyl ester [ACD/Index Name]
5-{[(Butylsulfonyl)(1-{[4-(diéthylamino)-2-méthylphényl]amino}-3-méthyl-1-oxo-2-pentanyl)amino]méthyl}-2-furoate de méthyle [French] [ACD/IUPAC Name]
Methyl 5-{[(butylsulfonyl)(1-{[4-(diethylamino)-2-methylphenyl]amino}-3-methyl-1-oxo-2-pentanyl)amino]methyl}-2-furoate [ACD/IUPAC Name]
Methyl-5-{[(butylsulfonyl)(1-{[4-(diethylamino)-2-methylphenyl]amino}-3-methyl-1-oxo-2-pentanyl)amino]methyl}-2-furoat [German] [ACD/IUPAC 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:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.550
Molar Refractivity: 149.4±0.4 cm3
#H bond acceptors: 9
#H bond donors: 1
#Freely Rotating Bonds: 16
#Rule of 5 Violations: 2
ACD/LogP: 6.49
ACD/LogD (pH 5.5): 4.06
ACD/BCF (pH 5.5): 281.31
ACD/KOC (pH 5.5): 648.01
ACD/LogD (pH 7.4): 5.52
ACD/BCF (pH 7.4): 8145.51
ACD/KOC (pH 7.4): 18763.49
Polar Surface Area: 118 Å2
Polarizability: 59.2±0.5 10-24cm3
Surface Tension: 46.3±3.0 dyne/cm
Molar Volume: 468.8±3.0 cm3

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