ChemSpider 2D Image | 1-(1'-{[3-(methylsulfanyl)-2-benzothiophen-1-yl]carbonyl}spiro[1-benzofuran-3,4'-piperidin]-5-yl)methanamine | C23H24N2O2S2

1-(1'-{[3-(methylsulfanyl)-2-benzothiophen-1-yl]carbonyl}spiro[1-benzofuran-3,4'-piperidin]-5-yl)methanamine

  • Molecular FormulaC23H24N2O2S2
  • Average mass424.579 Da
  • Monoisotopic mass424.127930 Da
  • ChemSpider ID25060074

More details:

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

[5-(Aminomethyl)-1'H-spiro[1-benzofuran-3,4'-piperidin]-1'-yl][3-(methylsulfanyl)-2-benzothiophen-1-yl]methanon [German] [ACD/IUPAC Name]
[5-(Aminomethyl)-1'H-spiro[1-benzofuran-3,4'-piperidin]-1'-yl][3-(methylsulfanyl)-2-benzothiophen-1-yl]methanone [ACD/IUPAC Name]
[5-(Aminométhyl)-1'H-spiro[1-benzofuran-3,4'-piperidin]-1'-yl][3-(méthylsulfanyl)-2-benzothiophén-1-yl]méthanone [French] [ACD/IUPAC Name]
1-(1'-{[3-(methylsulfanyl)-2-benzothiophen-1-yl]carbonyl}spiro[1-benzofuran-3,4'-piperidin]-5-yl)methanamine
Methanone, [5-(aminomethyl)spiro[benzofuran-3(2H),4'-piperidin]-1'-yl][3-(methylthio)benzo[c]thien-1-yl]- [ACD/Index Name]
1'-[3-(methylsulfanyl)-2-benzothiophene-1-carbonyl]-2H-spiro[1-benzofuran-3,4'-piperidine]-5-ylmethanamine
1'-{[3-(methylsulfanyl)-2-benzothiophen-1-yl]carbonyl}-2H-spiro[1-benzofuran-3,4'-piperidine]-5-ylmethanamine
1028048-68-1 [RN]
11M
JNJ-38120836

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

Density: 1.4±0.1 g/cm3
Boiling Point: 656.4±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.0 mmHg at 25°C
Enthalpy of Vaporization: 96.7±3.0 kJ/mol
Flash Point: 350.8±31.5 °C
Index of Refraction: 1.721
Molar Refractivity: 122.1±0.4 cm3
#H bond acceptors: 4
#H bond donors: 2
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 0
ACD/LogP: 3.96
ACD/LogD (pH 5.5): 0.77
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 2.53
ACD/LogD (pH 7.4): 1.71
ACD/BCF (pH 7.4): 3.63
ACD/KOC (pH 7.4): 21.92
Polar Surface Area: 109 Å2
Polarizability: 48.4±0.5 10-24cm3
Surface Tension: 70.1±5.0 dyne/cm
Molar Volume: 308.9±5.0 cm3

Click to predict properties on the Chemicalize site


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