ChemSpider 2D Image | 5-({4-[(6-Chlorothieno[2,3-d]pyrimidin-4-yl)amino](3,3,4,5,5-~2~H_5_)-1-piperidinyl}methyl)-2-fluorobenzonitrile | C19H12D5ClFN5S

5-({4-[(6-Chlorothieno[2,3-d]pyrimidin-4-yl)amino](3,3,4,5,5-2H5)-1-piperidinyl}methyl)-2-fluorobenzonitrile

  • Molecular FormulaC19H12D5ClFN5S
  • Average mass406.919 Da
  • Monoisotopic mass406.119110 Da
  • ChemSpider ID114810550

  • Non-standard isotope - Non-standard isotope

More details:

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

5-({4-[(6-Chlorothieno[2,3-d]pyrimidin-4-yl)amino](3,3,4,5,5-2H5)-1-piperidinyl}methyl)-2-fluorobenzonitrile [ACD/IUPAC Name]
5-({4-[(6-Chlorothiéno[2,3-d]pyrimidin-4-yl)amino](3,3,4,5,5-2H5)-1-pipéridinyl}méthyl)-2-fluorobenzonitrile [French] [ACD/IUPAC Name]
5-({4-[(6-Chlorthieno[2,3-d]pyrimidin-4-yl)amino](3,3,4,5,5-2H5)-1-piperidinyl}methyl)-2-fluorbenzonitril [German] [ACD/IUPAC Name]
Benzonitrile, 5-[[4-[(6-chlorothieno[2,3-d]pyrimidin-4-yl)amino]-1-piperidinyl-3,3,4,5,5-d5]methyl]-2-fluoro- [ACD/Index Name]

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

Density: 1.4±0.1 g/cm3
Boiling Point: 579.9±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.6 mmHg at 25°C
Enthalpy of Vaporization: 86.7±3.0 kJ/mol
Flash Point: 304.5±30.1 °C
Index of Refraction: 1.682
Molar Refractivity: 105.5±0.4 cm3
#H bond acceptors: 5
#H bond donors: 1
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 0
ACD/LogP: 4.22
ACD/LogD (pH 5.5): 2.05
ACD/BCF (pH 5.5): 7.80
ACD/KOC (pH 5.5): 46.12
ACD/LogD (pH 7.4): 3.62
ACD/BCF (pH 7.4): 287.25
ACD/KOC (pH 7.4): 1699.17
Polar Surface Area: 93 Å2
Polarizability: 41.8±0.5 10-24cm3
Surface Tension: 73.0±5.0 dyne/cm
Molar Volume: 278.5±5.0 cm3

Click to predict properties on the Chemicalize site


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