ChemSpider 2D Image | NNC 11-1607 | C30H32N6O2S2

NNC 11-1607

  • Molecular FormulaC30H32N6O2S2
  • Average mass572.744 Da
  • Monoisotopic mass572.202820 Da
  • ChemSpider ID8161114

More details:

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

1-Azabicyclo[2.2.2]octane, 3,3'-[1,3-phenylenebis(1-propyne-1,3-diyloxy-1,2,5-thiadiazole-4,3-diyl)]bis- [ACD/Index Name]
3,3'-[1,3-Phenylenbis(1-propin-1,3-diyloxy-1,2,5-thiadiazol-4,3-diyl)]dichinuclidin [German] [ACD/IUPAC Name]
3,3'-[1,3-Phenylenebis(1-propyne-1,3-diyloxy-1,2,5-thiadiazole-4,3-diyl)]diquinuclidine [ACD/IUPAC Name]
3,3'-[1,3-Phénylènebis(1-propyne-1,3-diyloxy-1,2,5-thiadiazole-4,3-diyl)]diquinuclidine [French] [ACD/IUPAC Name]
NNC 11-1607
250649-13-9 [RN]
8-[4-[3-[3-[3-[[4-(1-azabicyclo[2.2.2]octan-8-yl)-1,2,5-thiadiazol-3-yl]oxy]prop-1-ynyl]phenyl]prop-2-ynoxy]-1,2,5-thiadiazol-3-yl]-1-azabicyclo[2.2.2]octane

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

Density: 1.4±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.698
Molar Refractivity: 155.3±0.4 cm3
#H bond acceptors: 8
#H bond donors: 0
#Freely Rotating Bonds: 10
#Rule of 5 Violations: 2
ACD/LogP: 6.42
ACD/LogD (pH 5.5): 1.48
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 2.08
ACD/LogD (pH 7.4): 3.41
ACD/BCF (pH 7.4): 69.69
ACD/KOC (pH 7.4): 177.26
Polar Surface Area: 133 Å2
Polarizability: 61.6±0.5 10-24cm3
Surface Tension: 84.5±5.0 dyne/cm
Molar Volume: 402.8±5.0 cm3

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