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ChemSpider 2D Image | Fantofarone | C31H38N2O5S


  • Molecular FormulaC31H38N2O5S
  • Average mass550.709 Da
  • Monoisotopic mass550.250122 Da
  • ChemSpider ID106600

More details:

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

114432-13-2 [RN]
Benzeneethanamine, 3,4-dimethoxy-N-methyl-N-[3-[4-[[2-(1-methylethyl)-1-indolizinyl]sulfonyl]phenoxy]propyl]- [ACD/Index Name]
Fantofarona [Spanish] [INN]
Fantofaronum [Latin]
N-[2-(3,4-Dimethoxyphenyl)ethyl]-3-{4-[(2-isopropyl-1-indolizinyl)sulfonyl]phenoxy}-N-methyl-1-propanamin [German] [ACD/IUPAC Name]

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

SR 33557 [DBID]
SR-33557 [DBID]

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

Density: 1.2±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.573
Molar Refractivity: 156.1±0.5 cm3
#H bond acceptors: 7
#H bond donors: 0
#Freely Rotating Bonds: 13
#Rule of 5 Violations: 2
ACD/LogP: 5.96
ACD/LogD (pH 5.5): 2.48
ACD/BCF (pH 5.5): 9.12
ACD/KOC (pH 5.5): 25.48
ACD/LogD (pH 7.4): 3.95
ACD/BCF (pH 7.4): 269.26
ACD/KOC (pH 7.4): 752.49
Polar Surface Area: 78 Å2
Polarizability: 61.9±0.5 10-24cm3
Surface Tension: 41.3±7.0 dyne/cm
Molar Volume: 473.8±7.0 cm3

Click to predict properties on the Chemicalize site