ChemSpider 2D Image | N-(1-Benzothiophen-3-ylmethyl)-4-[4-(2-methoxyphenyl)-1-piperazinyl]-N-propyl-1-butanamine | C27H37N3OS

N-(1-Benzothiophen-3-ylmethyl)-4-[4-(2-methoxyphenyl)-1-piperazinyl]-N-propyl-1-butanamine

  • Molecular FormulaC27H37N3OS
  • Average mass451.667 Da
  • Monoisotopic mass451.265747 Da
  • ChemSpider ID26345303

More details:

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

1-Piperazinebutanamine, N-(benzo[b]thien-3-ylmethyl)-4-(2-methoxyphenyl)-N-propyl- [ACD/Index Name]
N-(1-Benzothiophen-3-ylmethyl)-4-[4-(2-methoxyphenyl)-1-piperazinyl]-N-propyl-1-butanamin [German] [ACD/IUPAC Name]
N-(1-Benzothiophen-3-ylmethyl)-4-[4-(2-methoxyphenyl)-1-piperazinyl]-N-propyl-1-butanamine [ACD/IUPAC Name]
N-(1-Benzothiophén-3-ylméthyl)-4-[4-(2-méthoxyphényl)-1-pipérazinyl]-N-propyl-1-butanamine [French] [ACD/IUPAC Name]

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

Density: 1.1±0.1 g/cm3
Boiling Point: 585.6±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.6 mmHg at 25°C
Enthalpy of Vaporization: 87.5±3.0 kJ/mol
Flash Point: 308.0±30.1 °C
Index of Refraction: 1.599
Molar Refractivity: 138.3±0.3 cm3
#H bond acceptors: 4
#H bond donors: 0
#Freely Rotating Bonds: 11
#Rule of 5 Violations: 1
ACD/LogP: 7.63
ACD/LogD (pH 5.5): 1.84
ACD/BCF (pH 5.5): 1.57
ACD/KOC (pH 5.5): 3.38
ACD/LogD (pH 7.4): 3.91
ACD/BCF (pH 7.4): 183.05
ACD/KOC (pH 7.4): 394.82
Polar Surface Area: 47 Å2
Polarizability: 54.8±0.5 10-24cm3
Surface Tension: 46.3±3.0 dyne/cm
Molar Volume: 404.9±3.0 cm3

Click to predict properties on the Chemicalize site


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