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Search term: WEXQGEFXPXMVSR (Found by InChIKey (skeleton match))
ChemSpider 2D Image | (7S)-N-(3-Fluorophenyl)-7-methyl-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-4-amine | C17H16FN3S

(7S)-N-(3-Fluorophenyl)-7-methyl-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-4-amine

  • Molecular FormulaC17H16FN3S
  • Average mass313.392 Da
  • Monoisotopic mass313.104889 Da
  • ChemSpider ID62511558

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

(7S)-N-(3-Fluorophenyl)-7-methyl-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-4-amine [ACD/IUPAC Name]
(7S)-N-(3-Fluorophényl)-7-méthyl-5,6,7,8-tétrahydro[1]benzothiéno[2,3-d]pyrimidin-4-amine [French] [ACD/IUPAC Name]
(7S)-N-(3-Fluorphenyl)-7-methyl-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-4-amin [German] [ACD/IUPAC Name]
[1]Benzothieno[2,3-d]pyrimidin-4-amine, N-(3-fluorophenyl)-5,6,7,8-tetrahydro-7-methyl-, (7S)- [ACD/Index Name]

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

Density: 1.3±0.1 g/cm3
Boiling Point: 485.3±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.2 mmHg at 25°C
Enthalpy of Vaporization: 75.1±3.0 kJ/mol
Flash Point: 247.3±28.7 °C
Index of Refraction: 1.681
Molar Refractivity: 89.5±0.3 cm3
#H bond acceptors: 3
#H bond donors: 1
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 1
ACD/LogP: 6.01
ACD/LogD (pH 5.5): 4.72
ACD/BCF (pH 5.5): 1863.74
ACD/KOC (pH 5.5): 6068.74
ACD/LogD (pH 7.4): 5.06
ACD/BCF (pH 7.4): 4107.02
ACD/KOC (pH 7.4): 13373.34
Polar Surface Area: 66 Å2
Polarizability: 35.5±0.5 10-24cm3
Surface Tension: 56.5±3.0 dyne/cm
Molar Volume: 236.5±3.0 cm3

Click to predict properties on the Chemicalize site


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