ChemSpider 2D Image | 1-[(1,2-Dimethyl-1H-imidazol-4-yl)sulfonyl]-4-(2-thienylsulfonyl)-1,4-diazepane | C14H20N4O4S3

1-[(1,2-Dimethyl-1H-imidazol-4-yl)sulfonyl]-4-(2-thienylsulfonyl)-1,4-diazepane

  • Molecular FormulaC14H20N4O4S3
  • Average mass404.528 Da
  • Monoisotopic mass404.064667 Da
  • ChemSpider ID39507652

More details:

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

1-[(1,2-Dimethyl-1H-imidazol-4-yl)sulfonyl]-4-(2-thienylsulfonyl)-1,4-diazepan [German] [ACD/IUPAC Name]
1-[(1,2-Dimethyl-1H-imidazol-4-yl)sulfonyl]-4-(2-thienylsulfonyl)-1,4-diazepane [ACD/IUPAC Name]
1-[(1,2-Diméthyl-1H-imidazol-4-yl)sulfonyl]-4-(2-thiénylsulfonyl)-1,4-diazépane [French] [ACD/IUPAC Name]
1H-1,4-Diazepine, 1-[(1,2-dimethyl-1H-imidazol-4-yl)sulfonyl]hexahydro-4-(2-thienylsulfonyl)- [ACD/Index Name]
1-((1,2-dimethyl-1H-imidazol-4-yl)sulfonyl)-4-(thiophen-2-ylsulfonyl)-1,4-diazepane

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

Density: 1.5±0.1 g/cm3
Boiling Point: 642.1±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: 342.1±34.3 °C
Index of Refraction: 1.697
Molar Refractivity: 101.3±0.5 cm3
#H bond acceptors: 8
#H bond donors: 0
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 0
ACD/LogP: 0.39
ACD/LogD (pH 5.5): 1.12
ACD/BCF (pH 5.5): 4.14
ACD/KOC (pH 5.5): 95.14
ACD/LogD (pH 7.4): 1.14
ACD/BCF (pH 7.4): 4.30
ACD/KOC (pH 7.4): 98.80
Polar Surface Area: 138 Å2
Polarizability: 40.2±0.5 10-24cm3
Surface Tension: 66.0±7.0 dyne/cm
Molar Volume: 262.9±7.0 cm3

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