ChemSpider 2D Image | 3-[5-Chloro-6-ethyl-2-(5-pyrimidinylsulfanyl)-7H-pyrrolo[2,3-d]pyrimidin-4-yl]-3-azabicyclo[3.1.0]hexan-6-amine | C17H18ClN7S

3-[5-Chloro-6-ethyl-2-(5-pyrimidinylsulfanyl)-7H-pyrrolo[2,3-d]pyrimidin-4-yl]-3-azabicyclo[3.1.0]hexan-6-amine

  • Molecular FormulaC17H18ClN7S
  • Average mass387.890 Da
  • Monoisotopic mass387.103302 Da
  • ChemSpider ID29414291

More details:






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

3-[5-Chlor-6-ethyl-2-(5-pyrimidinylsulfanyl)-7H-pyrrolo[2,3-d]pyrimidin-4-yl]-3-azabicyclo[3.1.0]hexan-6-amin [German] [ACD/IUPAC Name]
3-[5-Chloro-6-ethyl-2-(5-pyrimidinylsulfanyl)-7H-pyrrolo[2,3-d]pyrimidin-4-yl]-3-azabicyclo[3.1.0]hexan-6-amine [ACD/IUPAC Name]
3-[5-Chloro-6-éthyl-2-(5-pyrimidinylsulfanyl)-7H-pyrrolo[2,3-d]pyrimidin-4-yl]-3-azabicyclo[3.1.0]hexan-6-amine [French] [ACD/IUPAC Name]
3-Azabicyclo[3.1.0]hexan-6-amine, 3-[5-chloro-6-ethyl-2-(5-pyrimidinylthio)-7H-pyrrolo[2,3-d]pyrimidin-4-yl]- [ACD/Index Name]

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.6±0.1 g/cm3
Boiling Point: 679.6±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.1 mmHg at 25°C
Enthalpy of Vaporization: 99.7±3.0 kJ/mol
Flash Point: 364.8±34.3 °C
Index of Refraction: 1.769
Molar Refractivity: 102.7±0.4 cm3
#H bond acceptors: 7
#H bond donors: 3
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 0
ACD/LogP: 0.59
ACD/LogD (pH 5.5): -0.37
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.68
ACD/LogD (pH 7.4): 1.31
ACD/BCF (pH 7.4): 4.66
ACD/KOC (pH 7.4): 80.73
Polar Surface Area: 122 Å2
Polarizability: 40.7±0.5 10-24cm3
Surface Tension: 100.3±5.0 dyne/cm
Molar Volume: 247.5±5.0 cm3

Click to predict properties on the Chemicalize site






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