ChemSpider 2D Image | 1-[(2-Chloro-4,5-dimethoxyphenyl)sulfonyl]-4-propoxyazepane | C17H26ClNO5S

1-[(2-Chloro-4,5-dimethoxyphenyl)sulfonyl]-4-propoxyazepane

  • Molecular FormulaC17H26ClNO5S
  • Average mass391.910 Da
  • Monoisotopic mass391.122009 Da
  • ChemSpider ID80149733

More details:

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

1-[(2-Chlor-4,5-dimethoxyphenyl)sulfonyl]-4-propoxyazepan [German] [ACD/IUPAC Name]
1-[(2-Chloro-4,5-dimethoxyphenyl)sulfonyl]-4-propoxyazepane [ACD/IUPAC Name]
1-[(2-Chloro-4,5-diméthoxyphényl)sulfonyl]-4-propoxyazépane [French] [ACD/IUPAC Name]
1H-Azepine, 1-[(2-chloro-4,5-dimethoxyphenyl)sulfonyl]hexahydro-4-propoxy- [ACD/Index 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: 503.5±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.3 mmHg at 25°C
Enthalpy of Vaporization: 77.3±3.0 kJ/mol
Flash Point: 258.3±32.9 °C
Index of Refraction: 1.555
Molar Refractivity: 98.4±0.4 cm3
#H bond acceptors: 6
#H bond donors: 0
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 0
ACD/LogP: 4.41
ACD/LogD (pH 5.5): 3.77
ACD/BCF (pH 5.5): 427.96
ACD/KOC (pH 5.5): 2661.72
ACD/LogD (pH 7.4): 3.77
ACD/BCF (pH 7.4): 427.96
ACD/KOC (pH 7.4): 2661.72
Polar Surface Area: 73 Å2
Polarizability: 39.0±0.5 10-24cm3
Surface Tension: 49.6±5.0 dyne/cm
Molar Volume: 306.5±5.0 cm3

Click to predict properties on the Chemicalize site


Advertisement