ChemSpider 2D Image | (1S,2S,3R,4R)-3-({5-Chloro-2-[(1-ethyl-1H-pyrazol-4-yl)amino]-4-pyrimidinyl}amino)bicyclo[2.2.1]hept-5-ene-2-carboxamide | C17H20ClN7O

(1S,2S,3R,4R)-3-({5-Chloro-2-[(1-ethyl-1H-pyrazol-4-yl)amino]-4-pyrimidinyl}amino)bicyclo[2.2.1]hept-5-ene-2-carboxamide

  • Molecular FormulaC17H20ClN7O
  • Average mass373.840 Da
  • Monoisotopic mass373.141785 Da
  • ChemSpider ID28520159

  • defined stereocentres - 4 of 4 defined stereocentres

More details:

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

(1S,2S,3R,4R)-3-({5-Chlor-2-[(1-ethyl-1H-pyrazol-4-yl)amino]-4-pyrimidinyl}amino)bicyclo[2.2.1]hept-5-en-2-carboxamid [German] [ACD/IUPAC Name]
(1S,2S,3R,4R)-3-({5-Chloro-2-[(1-ethyl-1H-pyrazol-4-yl)amino]-4-pyrimidinyl}amino)bicyclo[2.2.1]hept-5-ene-2-carboxamide [ACD/IUPAC Name]
(1S,2S,3R,4R)-3-({5-Chloro-2-[(1-éthyl-1H-pyrazol-4-yl)amino]-4-pyrimidinyl}amino)bicyclo[2.2.1]hept-5-ène-2-carboxamide [French] [ACD/IUPAC Name]
Bicyclo[2.2.1]hept-5-ene-2-carboxamide, 3-[[5-chloro-2-[(1-ethyl-1H-pyrazol-4-yl)amino]-4-pyrimidinyl]amino]-, (1S,2S,3R,4R)- [ACD/Index Name]

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

Density: 1.6±0.1 g/cm3
Boiling Point: 685.2±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.1 mmHg at 25°C
Enthalpy of Vaporization: 100.5±3.0 kJ/mol
Flash Point: 368.2±34.3 °C
Index of Refraction: 1.791
Molar Refractivity: 97.1±0.5 cm3
#H bond acceptors: 8
#H bond donors: 4
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 0
ACD/LogP: 0.17
ACD/LogD (pH 5.5): 0.99
ACD/BCF (pH 5.5): 3.19
ACD/KOC (pH 5.5): 75.76
ACD/LogD (pH 7.4): 1.07
ACD/BCF (pH 7.4): 3.84
ACD/KOC (pH 7.4): 91.11
Polar Surface Area: 111 Å2
Polarizability: 38.5±0.5 10-24cm3
Surface Tension: 68.4±7.0 dyne/cm
Molar Volume: 229.0±7.0 cm3

Click to predict properties on the Chemicalize site


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