ChemSpider 2D Image | WX8LOM674D | C17H19N3OS

WX8LOM674D

  • Molecular FormulaC17H19N3OS
  • Average mass313.417 Da
  • Monoisotopic mass313.124878 Da
  • ChemSpider ID34995134

  • defined stereocentres - 3 of 4 defined stereocentres

More details:

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

(3R,4s,5S)-4-[(5-Phenyl-1,3,4-thiadiazol-2-yl)oxy]-1-azatricyclo[3.3.1.13,7]decan [German] [ACD/IUPAC Name]
(3R,4s,5S)-4-[(5-Phenyl-1,3,4-thiadiazol-2-yl)oxy]-1-azatricyclo[3.3.1.13,7]decane [ACD/IUPAC Name]
(3R,4s,5S)-4-[(5-Phényl-1,3,4-thiadiazol-2-yl)oxy]-1-azatricyclo[3.3.1.13,7]décane [French] [ACD/IUPAC Name]
1-Azatricyclo[3.3.1.13,7]decane, 4-[(5-phenyl-1,3,4-thiadiazol-2-yl)oxy]-, (3R,5S)- [ACD/Index Name]
WX8LOM674D
UNII:WX8LOM674D

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

9998 [DBID]

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

Density: 1.4±0.1 g/cm3
Boiling Point: 460.2±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.1 mmHg at 25°C
Enthalpy of Vaporization: 72.1±3.0 kJ/mol
Flash Point: 232.1±31.5 °C
Index of Refraction: 1.668
Molar Refractivity: 86.3±0.4 cm3
#H bond acceptors: 4
#H bond donors: 0
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 0
ACD/LogP: 4.06
ACD/LogD (pH 5.5): 1.45
ACD/BCF (pH 5.5): 2.33
ACD/KOC (pH 5.5): 16.05
ACD/LogD (pH 7.4): 3.12
ACD/BCF (pH 7.4): 107.59
ACD/KOC (pH 7.4): 740.66
Polar Surface Area: 66 Å2
Polarizability: 34.2±0.5 10-24cm3
Surface Tension: 66.9±5.0 dyne/cm
Molar Volume: 231.6±5.0 cm3

Click to predict properties on the Chemicalize site


Advertisement