ChemSpider 2D Image | {4-[(1-{3-[(Dimethylamino)methyl]-4-hydroxybenzyl}-4-piperidinyl)amino]-5-methylthieno[2,3-d]pyrimidin-6-yl}(4-morpholinyl)methanone | C27H36N6O3S

{4-[(1-{3-[(Dimethylamino)methyl]-4-hydroxybenzyl}-4-piperidinyl)amino]-5-methylthieno[2,3-d]pyrimidin-6-yl}(4-morpholinyl)methanone

  • Molecular FormulaC27H36N6O3S
  • Average mass524.678 Da
  • Monoisotopic mass524.256958 Da
  • ChemSpider ID68654563

More details:

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

{4-[(1-{3-[(Dimethylamino)methyl]-4-hydroxybenzyl}-4-piperidinyl)amino]-5-methylthieno[2,3-d]pyrimidin-6-yl}(4-morpholinyl)methanon [German] [ACD/IUPAC Name]
{4-[(1-{3-[(Dimethylamino)methyl]-4-hydroxybenzyl}-4-piperidinyl)amino]-5-methylthieno[2,3-d]pyrimidin-6-yl}(4-morpholinyl)methanone [ACD/IUPAC Name]
{4-[(1-{3-[(Diméthylamino)méthyl]-4-hydroxybenzyl}-4-pipéridinyl)amino]-5-méthylthiéno[2,3-d]pyrimidin-6-yl}(4-morpholinyl)méthanone [French] [ACD/IUPAC Name]
Methanone, [4-[[1-[[3-[(dimethylamino)methyl]-4-hydroxyphenyl]methyl]-4-piperidinyl]amino]-5-methylthieno[2,3-d]pyrimidin-6-yl]-4-morpholinyl- [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: 723.5±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.4 mmHg at 25°C
Enthalpy of Vaporization: 109.4±3.0 kJ/mol
Flash Point: 391.3±32.9 °C
Index of Refraction: 1.672
Molar Refractivity: 149.0±0.3 cm3
#H bond acceptors: 9
#H bond donors: 2
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 1
ACD/LogP: 0.87
ACD/LogD (pH 5.5): -2.45
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): 0.09
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 4.75
Polar Surface Area: 122 Å2
Polarizability: 59.1±0.5 10-24cm3
Surface Tension: 67.4±3.0 dyne/cm
Molar Volume: 398.2±3.0 cm3

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