ChemSpider 2D Image | 2-[4-(1-Benzothiophen-3-ylmethyl)-1-piperazinyl]-N-(2,4-difluorophenyl)acetamide | C21H21F2N3OS

2-[4-(1-Benzothiophen-3-ylmethyl)-1-piperazinyl]-N-(2,4-difluorophenyl)acetamide

  • Molecular FormulaC21H21F2N3OS
  • Average mass401.473 Da
  • Monoisotopic mass401.137329 Da
  • ChemSpider ID21732617

More details:

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

1-Piperazineacetamide, 4-(benzo[b]thien-3-ylmethyl)-N-(2,4-difluorophenyl)- [ACD/Index Name]
2-[4-(1-Benzothiophen-3-ylmethyl)-1-piperazinyl]-N-(2,4-difluorophenyl)acetamide [ACD/IUPAC Name]
2-[4-(1-Benzothiophén-3-ylméthyl)-1-pipérazinyl]-N-(2,4-difluorophényl)acétamide [French] [ACD/IUPAC Name]
2-[4-(1-Benzothiophen-3-ylmethyl)-1-piperazinyl]-N-(2,4-difluorphenyl)acetamid [German] [ACD/IUPAC Name]

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

Density: 1.4±0.1 g/cm3
Boiling Point: 565.7±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.5 mmHg at 25°C
Enthalpy of Vaporization: 85.0±3.0 kJ/mol
Flash Point: 295.9±30.1 °C
Index of Refraction: 1.658
Molar Refractivity: 109.5±0.3 cm3
#H bond acceptors: 4
#H bond donors: 1
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 0
ACD/LogP: 4.90
ACD/LogD (pH 5.5): 2.56
ACD/BCF (pH 5.5): 27.06
ACD/KOC (pH 5.5): 169.68
ACD/LogD (pH 7.4): 3.68
ACD/BCF (pH 7.4): 351.62
ACD/KOC (pH 7.4): 2204.67
Polar Surface Area: 64 Å2
Polarizability: 43.4±0.5 10-24cm3
Surface Tension: 57.5±3.0 dyne/cm
Molar Volume: 297.4±3.0 cm3

Click to predict properties on the Chemicalize site


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