ChemSpider 2D Image | 2-{[2-(1-Azepanyl)-2-oxoethyl]sulfanyl}-N,N-diethyl-1-(4-methoxyphenyl)-1H-benzimidazole-5-sulfonamide | C26H34N4O4S2

2-{[2-(1-Azepanyl)-2-oxoethyl]sulfanyl}-N,N-diethyl-1-(4-methoxyphenyl)-1H-benzimidazole-5-sulfonamide

  • Molecular FormulaC26H34N4O4S2
  • Average mass530.703 Da
  • Monoisotopic mass530.202148 Da
  • ChemSpider ID3789857

More details:

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

1H-Benzimidazole-5-sulfonamide, N,N-diethyl-2-[[2-(hexahydro-1H-azepin-1-yl)-2-oxoethyl]thio]-1-(4-methoxyphenyl)- [ACD/Index Name]
2-{[2-(1-Azepanyl)-2-oxoethyl]sulfanyl}-N,N-diethyl-1-(4-methoxyphenyl)-1H-benzimidazol-5-sulfonamid [German] [ACD/IUPAC Name]
2-{[2-(1-Azepanyl)-2-oxoethyl]sulfanyl}-N,N-diethyl-1-(4-methoxyphenyl)-1H-benzimidazole-5-sulfonamide [ACD/IUPAC Name]
2-{[2-(1-Azépanyl)-2-oxoéthyl]sulfanyl}-N,N-diéthyl-1-(4-méthoxyphényl)-1H-benzimidazole-5-sulfonamide [French] [ACD/IUPAC Name]

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

MLS000536221 [DBID]
SMR000155524 [DBID]

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

Density: 1.3±0.1 g/cm3
Boiling Point: 724.1±70.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.3 mmHg at 25°C
Enthalpy of Vaporization: 105.8±3.0 kJ/mol
Flash Point: 391.7±35.7 °C
Index of Refraction: 1.633
Molar Refractivity: 146.4±0.5 cm3
#H bond acceptors: 8
#H bond donors: 0
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 2
ACD/LogP: 6.24
ACD/LogD (pH 5.5): 4.64
ACD/BCF (pH 5.5): 1981.11
ACD/KOC (pH 5.5): 7968.75
ACD/LogD (pH 7.4): 4.64
ACD/BCF (pH 7.4): 1983.23
ACD/KOC (pH 7.4): 7977.28
Polar Surface Area: 118 Å2
Polarizability: 58.0±0.5 10-24cm3
Surface Tension: 50.9±7.0 dyne/cm
Molar Volume: 409.6±7.0 cm3

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