ChemSpider 2D Image | (1S,5R)-6-[(5-Chloro-3-ethyl-1-methyl-1H-pyrazol-4-yl)methyl]-3-(2-pyridinylmethyl)-3,6-diazabicyclo[3.2.2]nonane | C20H28ClN5

(1S,5R)-6-[(5-Chloro-3-ethyl-1-methyl-1H-pyrazol-4-yl)methyl]-3-(2-pyridinylmethyl)-3,6-diazabicyclo[3.2.2]nonane

  • Molecular FormulaC20H28ClN5
  • Average mass373.923 Da
  • Monoisotopic mass373.203339 Da
  • ChemSpider ID29728880

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

(1S,5R)-6-[(5-Chlor-3-ethyl-1-methyl-1H-pyrazol-4-yl)methyl]-3-(2-pyridinylmethyl)-3,6-diazabicyclo[3.2.2]nonan [German] [ACD/IUPAC Name]
(1S,5R)-6-[(5-Chloro-3-ethyl-1-methyl-1H-pyrazol-4-yl)methyl]-3-(2-pyridinylmethyl)-3,6-diazabicyclo[3.2.2]nonane [ACD/IUPAC Name]
(1S,5R)-6-[(5-Chloro-3-éthyl-1-méthyl-1H-pyrazol-4-yl)méthyl]-3-(2-pyridinylméthyl)-3,6-diazabicyclo[3.2.2]nonane [French] [ACD/IUPAC Name]
3,6-Diazabicyclo[3.2.2]nonane, 6-[(5-chloro-3-ethyl-1-methyl-1H-pyrazol-4-yl)methyl]-3-(2-pyridinylmethyl)-, (1S,5R)- [ACD/Index Name]
(1S*,5R*)-6-[(5-chloro-3-ethyl-1-methyl-1H-pyrazol-4-yl)methyl]-3-(2-pyridinylmethyl)-3,6-diazabicyclo[3.2.2]nonane

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

Density: 1.3±0.1 g/cm3
Boiling Point: 482.4±40.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.2 mmHg at 25°C
Enthalpy of Vaporization: 74.7±3.0 kJ/mol
Flash Point: 245.5±27.3 °C
Index of Refraction: 1.658
Molar Refractivity: 106.7±0.5 cm3
#H bond acceptors: 5
#H bond donors: 0
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 0
ACD/LogP: 1.91
ACD/LogD (pH 5.5): 0.90
ACD/BCF (pH 5.5): 1.33
ACD/KOC (pH 5.5): 17.52
ACD/LogD (pH 7.4): 2.17
ACD/BCF (pH 7.4): 25.03
ACD/KOC (pH 7.4): 329.12
Polar Surface Area: 37 Å2
Polarizability: 42.3±0.5 10-24cm3
Surface Tension: 48.1±7.0 dyne/cm
Molar Volume: 289.8±7.0 cm3

Click to predict properties on the Chemicalize site


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