ChemSpider 2D Image | 3,3-Diphenyl-1-[7-(2-thienyl)-1,4-thiazepan-4-yl]-1-propanone | C24H25NOS2

3,3-Diphenyl-1-[7-(2-thienyl)-1,4-thiazepan-4-yl]-1-propanone

  • Molecular FormulaC24H25NOS2
  • Average mass407.591 Da
  • Monoisotopic mass407.137756 Da
  • ChemSpider ID39475466

More details:

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

1-Propanone, 3,3-diphenyl-1-[tetrahydro-7-(2-thienyl)-1,4-thiazepin-4(5H)-yl]- [ACD/Index Name]
3,3-Diphenyl-1-[7-(2-thienyl)-1,4-thiazepan-4-yl]-1-propanon [German] [ACD/IUPAC Name]
3,3-Diphenyl-1-[7-(2-thienyl)-1,4-thiazepan-4-yl]-1-propanone [ACD/IUPAC Name]
3,3-Diphényl-1-[7-(2-thiényl)-1,4-thiazépan-4-yl]-1-propanone [French] [ACD/IUPAC Name]
3,3-diphenyl-1-(7-(thiophen-2-yl)-1,4-thiazepan-4-yl)propan-1-one

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

Density: 1.2±0.1 g/cm3
Boiling Point: 611.0±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.8 mmHg at 25°C
Enthalpy of Vaporization: 90.7±3.0 kJ/mol
Flash Point: 323.3±31.5 °C
Index of Refraction: 1.624
Molar Refractivity: 120.3±0.3 cm3
#H bond acceptors: 2
#H bond donors: 0
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 1
ACD/LogP: 6.12
ACD/LogD (pH 5.5): 5.54
ACD/BCF (pH 5.5): 9600.95
ACD/KOC (pH 5.5): 24667.77
ACD/LogD (pH 7.4): 5.54
ACD/BCF (pH 7.4): 9600.95
ACD/KOC (pH 7.4): 24667.77
Polar Surface Area: 74 Å2
Polarizability: 47.7±0.5 10-24cm3
Surface Tension: 50.2±3.0 dyne/cm
Molar Volume: 340.7±3.0 cm3

Click to predict properties on the Chemicalize site


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