ChemSpider 2D Image | 3-[4-(1-Azepanylsulfonyl)phenyl]-1-[4-(2-thienylmethyl)-1-piperazinyl]-1-propanone | C24H33N3O3S2

3-[4-(1-Azepanylsulfonyl)phenyl]-1-[4-(2-thienylmethyl)-1-piperazinyl]-1-propanone

  • Molecular FormulaC24H33N3O3S2
  • Average mass475.667 Da
  • Monoisotopic mass475.196320 Da
  • ChemSpider ID22321269

More details:

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

1-Propanone, 3-[4-[(hexahydro-1H-azepin-1-yl)sulfonyl]phenyl]-1-[4-(2-thienylmethyl)-1-piperazinyl]- [ACD/Index Name]
3-[4-(1-Azepanylsulfonyl)phenyl]-1-[4-(2-thienylmethyl)-1-piperazinyl]-1-propanon [German] [ACD/IUPAC Name]
3-[4-(1-Azepanylsulfonyl)phenyl]-1-[4-(2-thienylmethyl)-1-piperazinyl]-1-propanone [ACD/IUPAC Name]
3-[4-(1-Azépanylsulfonyl)phényl]-1-[4-(2-thiénylméthyl)-1-pipérazinyl]-1-propanone [French] [ACD/IUPAC Name]

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

Density: 1.3±0.1 g/cm3
Boiling Point: 648.9±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.9 mmHg at 25°C
Enthalpy of Vaporization: 95.7±3.0 kJ/mol
Flash Point: 346.2±34.3 °C
Index of Refraction: 1.609
Molar Refractivity: 130.9±0.4 cm3
#H bond acceptors: 6
#H bond donors: 0
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 0
ACD/LogP: 3.76
ACD/LogD (pH 5.5): 3.37
ACD/BCF (pH 5.5): 179.23
ACD/KOC (pH 5.5): 1162.12
ACD/LogD (pH 7.4): 3.68
ACD/BCF (pH 7.4): 364.78
ACD/KOC (pH 7.4): 2365.19
Polar Surface Area: 98 Å2
Polarizability: 51.9±0.5 10-24cm3
Surface Tension: 54.4±3.0 dyne/cm
Molar Volume: 377.9±3.0 cm3

Click to predict properties on the Chemicalize site


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