ChemSpider 2D Image | N-[2-(2,3'-Bithiophen-5-yl)ethyl]-2,3-dihydro-1,4-benzodioxine-6-sulfonamide | C18H17NO4S3

N-[2-(2,3'-Bithiophen-5-yl)ethyl]-2,3-dihydro-1,4-benzodioxine-6-sulfonamide

  • Molecular FormulaC18H17NO4S3
  • Average mass407.527 Da
  • Monoisotopic mass407.031982 Da
  • ChemSpider ID57825441

More details:

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

1,4-Benzodioxin-6-sulfonamide, N-(2-[2,3'-bithiophen]-5-ylethyl)-2,3-dihydro- [ACD/Index Name]
N-[2-(2,3'-Bithiophen-5-yl)ethyl]-2,3-dihydro-1,4-benzodioxin-6-sulfonamid [German] [ACD/IUPAC Name]
N-[2-(2,3'-Bithiophen-5-yl)ethyl]-2,3-dihydro-1,4-benzodioxine-6-sulfonamide [ACD/IUPAC Name]
N-[2-(2,3'-Bithiophén-5-yl)éthyl]-2,3-dihydro-1,4-benzodioxine-6-sulfonamide [French] [ACD/IUPAC Name]
2034565-32-5 [RN]
N-(2-([2,3'-bithiophen]-5-yl)ethyl)-2,3-dihydrobenzo[b][1,4]dioxine-6-sulfonamide
N-(2-{[2,3'-bithiophene]-5-yl}ethyl)-2,3-dihydro-1,4-benzodioxine-6-sulfonamide

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

Density: 1.4±0.1 g/cm3
Boiling Point: 558.2±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.5 mmHg at 25°C
Enthalpy of Vaporization: 84.0±3.0 kJ/mol
Flash Point: 291.4±32.9 °C
Index of Refraction: 1.642
Molar Refractivity: 104.9±0.4 cm3
#H bond acceptors: 5
#H bond donors: 1
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 1
ACD/LogP: 5.11
ACD/LogD (pH 5.5): 4.42
ACD/BCF (pH 5.5): 1344.13
ACD/KOC (pH 5.5): 6038.61
ACD/LogD (pH 7.4): 4.42
ACD/BCF (pH 7.4): 1343.91
ACD/KOC (pH 7.4): 6037.60
Polar Surface Area: 129 Å2
Polarizability: 41.6±0.5 10-24cm3
Surface Tension: 56.2±3.0 dyne/cm
Molar Volume: 290.4±3.0 cm3

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