ChemSpider 2D Image | (4-Butoxyphenyl)(7-phenyl-1,4-thiazepan-4-yl)methanone | C22H27NO2S

(4-Butoxyphenyl)(7-phenyl-1,4-thiazepan-4-yl)methanone

  • Molecular FormulaC22H27NO2S
  • Average mass369.520 Da
  • Monoisotopic mass369.176239 Da
  • ChemSpider ID30767928

More details:

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

(4-Butoxyphenyl)(7-phenyl-1,4-thiazepan-4-yl)methanon [German] [ACD/IUPAC Name]
(4-Butoxyphenyl)(7-phenyl-1,4-thiazepan-4-yl)methanone [ACD/IUPAC Name]
(4-Butoxyphényl)(7-phényl-1,4-thiazépan-4-yl)méthanone [French] [ACD/IUPAC Name]
Methanone, (4-butoxyphenyl)(tetrahydro-7-phenyl-1,4-thiazepin-4(5H)-yl)- [ACD/Index Name]
1797906-64-9 [RN]
4-(4-butoxybenzoyl)-7-phenyl-1,4-thiazepane

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

Density: 1.1±0.1 g/cm3
Boiling Point: 551.8±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.5 mmHg at 25°C
Enthalpy of Vaporization: 83.2±3.0 kJ/mol
Flash Point: 287.5±30.1 °C
Index of Refraction: 1.579
Molar Refractivity: 109.5±0.3 cm3
#H bond acceptors: 3
#H bond donors: 0
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 1
ACD/LogP: 5.41
ACD/LogD (pH 5.5): 4.89
ACD/BCF (pH 5.5): 3092.45
ACD/KOC (pH 5.5): 10963.61
ACD/LogD (pH 7.4): 4.89
ACD/BCF (pH 7.4): 3092.45
ACD/KOC (pH 7.4): 10963.61
Polar Surface Area: 55 Å2
Polarizability: 43.4±0.5 10-24cm3
Surface Tension: 44.1±3.0 dyne/cm
Molar Volume: 329.5±3.0 cm3

Click to predict properties on the Chemicalize site


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