ChemSpider 2D Image | N-{[5-(3-Thienylcarbonyl)-2-thienyl]methyl}-3,4-dihydro-2H-1,5-benzodioxepine-7-sulfonamide | C19H17NO5S3

N-{[5-(3-Thienylcarbonyl)-2-thienyl]methyl}-3,4-dihydro-2H-1,5-benzodioxepine-7-sulfonamide

  • Molecular FormulaC19H17NO5S3
  • Average mass435.537 Da
  • Monoisotopic mass435.026886 Da
  • ChemSpider ID30756532

More details:

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

2H-1,5-Benzodioxepin-7-sulfonamide, 3,4-dihydro-N-[[5-(3-thienylcarbonyl)-2-thienyl]methyl]- [ACD/Index Name]
N-{[5-(3-Thienylcarbonyl)-2-thienyl]methyl}-3,4-dihydro-2H-1,5-benzodioxepin-7-sulfonamid [German] [ACD/IUPAC Name]
N-{[5-(3-Thienylcarbonyl)-2-thienyl]methyl}-3,4-dihydro-2H-1,5-benzodioxepine-7-sulfonamide [ACD/IUPAC Name]
N-{[5-(3-Thiénylcarbonyl)-2-thiényl]méthyl}-3,4-dihydro-2H-1,5-benzodioxépine-7-sulfonamide [French] [ACD/IUPAC Name]
1797191-05-9 [RN]
N-((5-(thiophene-3-carbonyl)thiophen-2-yl)methyl)-3,4-dihydro-2H-benzo[b][1,4]dioxepine-7-sulfonamide
N-{[5-(thiophene-3-carbonyl)thiophen-2-yl]methyl}-3,4-dihydro-2H-1,5-benzodioxepine-7-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: 642.2±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.9 mmHg at 25°C
Enthalpy of Vaporization: 94.8±3.0 kJ/mol
Flash Point: 342.2±34.3 °C
Index of Refraction: 1.639
Molar Refractivity: 109.6±0.4 cm3
#H bond acceptors: 6
#H bond donors: 1
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 0
ACD/LogP: 4.09
ACD/LogD (pH 5.5): 3.59
ACD/BCF (pH 5.5): 314.21
ACD/KOC (pH 5.5): 2133.59
ACD/LogD (pH 7.4): 3.59
ACD/BCF (pH 7.4): 313.27
ACD/KOC (pH 7.4): 2127.23
Polar Surface Area: 147 Å2
Polarizability: 43.5±0.5 10-24cm3
Surface Tension: 58.0±3.0 dyne/cm
Molar Volume: 304.5±3.0 cm3

Click to predict properties on the Chemicalize site


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