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Search term: 78434968 (Found by CSID)
ChemSpider 2D Image | 1-Benzyl-6-(hydroxymethyl)-7,9-dimethyl-2,3,4,5-tetrathia-7,9-diazabicyclo[4.2.2]decane-8,10-dione | C14H16N2O3S4

1-Benzyl-6-(hydroxymethyl)-7,9-dimethyl-2,3,4,5-tetrathia-7,9-diazabicyclo[4.2.2]decane-8,10-dione

  • Molecular FormulaC14H16N2O3S4
  • Average mass388.548 Da
  • Monoisotopic mass388.004364 Da
  • ChemSpider ID78434968

More details:

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

1-Benzyl-6-(hydroxymethyl)-7,9-dimethyl-2,3,4,5-tetrathia-7,9-diazabicyclo[4.2.2]decan-8,10-dion [German] [ACD/IUPAC Name]
1-Benzyl-6-(hydroxymethyl)-7,9-dimethyl-2,3,4,5-tetrathia-7,9-diazabicyclo[4.2.2]decane-8,10-dione [ACD/IUPAC Name]
1-Benzyl-6-(hydroxyméthyl)-7,9-diméthyl-2,3,4,5-tétrathia-7,9-diazabicyclo[4.2.2]décane-8,10-dione [French] [ACD/IUPAC Name]
2,3,4,5-Tetrathia-7,9-diazabicyclo[4.2.2]decane-8,10-dione, 1-(hydroxymethyl)-7,9-dimethyl-6-(phenylmethyl)- [ACD/Index Name]
A26771C

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

Density: 1.5±0.1 g/cm3
Boiling Point: 665.1±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.1 mmHg at 25°C
Enthalpy of Vaporization: 102.8±3.0 kJ/mol
Flash Point: 356.0±34.3 °C
Index of Refraction: 1.714
Molar Refractivity: 101.2±0.3 cm3
#H bond acceptors: 5
#H bond donors: 1
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 0
ACD/LogP: 2.74
ACD/LogD (pH 5.5): 2.60
ACD/BCF (pH 5.5): 55.68
ACD/KOC (pH 5.5): 618.31
ACD/LogD (pH 7.4): 2.60
ACD/BCF (pH 7.4): 55.68
ACD/KOC (pH 7.4): 618.31
Polar Surface Area: 162 Å2
Polarizability: 40.1±0.5 10-24cm3
Surface Tension: 70.6±3.0 dyne/cm
Molar Volume: 257.8±3.0 cm3

Click to predict properties on the Chemicalize site


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