ChemSpider 2D Image | CRT0066854 | C24H25N5S

CRT0066854

  • Molecular FormulaC24H25N5S
  • Average mass415.554 Da
  • Monoisotopic mass415.183075 Da
  • ChemSpider ID35035754

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

(2S)-3-Phenyl-N1-[2-(4-pyridinyl)-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-4-yl]-1,2-propandiamin [German] [ACD/IUPAC Name]
(2S)-3-Phenyl-N1-[2-(4-pyridinyl)-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-4-yl]-1,2-propanediamine [ACD/IUPAC Name]
(2S)-3-Phényl-N1-[2-(4-pyridinyl)-5,6,7,8-tétrahydro[1]benzothiéno[2,3-d]pyrimidin-4-yl]-1,2-propanediamine [French] [ACD/IUPAC Name]
(2s)-3-Phenyl-N1-[2-(Pyridin-4-Yl)-5,6,7,8-Tetrahydro[1]benzothieno[2,3-D]pyrimidin-4-Yl]propane-1,2-Diamine
1,2-Propanediamine, 3-phenyl-N1-[5,6,7,8-tetrahydro-2-(4-pyridinyl)[1]benzothieno[2,3-d]pyrimidin-4-yl]-, (2S)- [ACD/Index Name]
1438881-19-6 [RN]
CRT0066854
(2S)-3-phenyl-1-N-(2-pyridin-4-yl-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-yl)propane-1,2-diamine
(2S)-3-phenyl-N1-[5-(pyridin-4-yl)-8-thia-4,6-diazatricyclo[7.4.0.0,2,7]trideca-1(9),2,4,6-tetraen-3-yl]propane-1,2-diamine
(2S)-3-phenyl-N1-[5,6,7,8-tetrahydro-2-(4-pyridinyl)[1]benzothieno[2,3-d]pyrimidin-4-yl]-1,2-propanediamine
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Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

Density: 1.3±0.1 g/cm3
Boiling Point: 605.9±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.7 mmHg at 25°C
Enthalpy of Vaporization: 90.1±3.0 kJ/mol
Flash Point: 320.2±31.5 °C
Index of Refraction: 1.704
Molar Refractivity: 125.0±0.3 cm3
#H bond acceptors: 5
#H bond donors: 3
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 1
ACD/LogP: 5.23
ACD/LogD (pH 5.5): 1.98
ACD/BCF (pH 5.5): 4.69
ACD/KOC (pH 5.5): 20.49
ACD/LogD (pH 7.4): 3.70
ACD/BCF (pH 7.4): 248.07
ACD/KOC (pH 7.4): 1084.30
Polar Surface Area: 105 Å2
Polarizability: 49.5±0.5 10-24cm3
Surface Tension: 64.7±3.0 dyne/cm
Molar Volume: 322.0±3.0 cm3

Click to predict properties on the Chemicalize site


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