ChemSpider 2D Image | 1-[3-(4-Methoxyphenyl)-1-azepanyl]-3-(phenylsulfanyl)-1-propanone | C22H27NO2S

1-[3-(4-Methoxyphenyl)-1-azepanyl]-3-(phenylsulfanyl)-1-propanone

  • Molecular FormulaC22H27NO2S
  • Average mass369.520 Da
  • Monoisotopic mass369.176239 Da
  • ChemSpider ID30767145

More details:

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

1-[3-(4-Methoxyphenyl)-1-azepanyl]-3-(phenylsulfanyl)-1-propanon [German] [ACD/IUPAC Name]
1-[3-(4-Methoxyphenyl)-1-azepanyl]-3-(phenylsulfanyl)-1-propanone [ACD/IUPAC Name]
1-[3-(4-Méthoxyphényl)-1-azépanyl]-3-(phénylsulfanyl)-1-propanone [French] [ACD/IUPAC Name]
1-Propanone, 1-[hexahydro-3-(4-methoxyphenyl)-1H-azepin-1-yl]-3-(phenylthio)- [ACD/Index Name]
1-(3-(4-methoxyphenyl)azepan-1-yl)-3-(phenylthio)propan-1-one
1-[3-(4-methoxyphenyl)azepan-1-yl]-3-(phenylsulfanyl)propan-1-one
1797720-47-8 [RN]

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

Density: 1.2±0.1 g/cm3
Boiling Point: 552.4±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.5 mmHg at 25°C
Enthalpy of Vaporization: 83.3±3.0 kJ/mol
Flash Point: 287.9±30.1 °C
Index of Refraction: 1.604
Molar Refractivity: 109.5±0.4 cm3
#H bond acceptors: 3
#H bond donors: 0
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 1
ACD/LogP: 5.20
ACD/LogD (pH 5.5): 4.94
ACD/BCF (pH 5.5): 3333.36
ACD/KOC (pH 5.5): 11568.43
ACD/LogD (pH 7.4): 4.94
ACD/BCF (pH 7.4): 3333.36
ACD/KOC (pH 7.4): 11568.43
Polar Surface Area: 55 Å2
Polarizability: 43.4±0.5 10-24cm3
Surface Tension: 50.7±5.0 dyne/cm
Molar Volume: 318.2±5.0 cm3

Click to predict properties on the Chemicalize site


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