ChemSpider 2D Image | {4-[(1-{3-[(3,5-Dimethyl-1H-pyrazol-4-yl)methyl]-4-methoxybenzyl}-4-piperidinyl)amino]-5-methylthieno[2,3-d]pyrimidin-6-yl}(4-morpholinyl)methanone | C31H39N7O3S

{4-[(1-{3-[(3,5-Dimethyl-1H-pyrazol-4-yl)methyl]-4-methoxybenzyl}-4-piperidinyl)amino]-5-methylthieno[2,3-d]pyrimidin-6-yl}(4-morpholinyl)methanone

  • Molecular FormulaC31H39N7O3S
  • Average mass589.752 Da
  • Monoisotopic mass589.283508 Da
  • ChemSpider ID68377051

More details:

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

{4-[(1-{3-[(3,5-Dimethyl-1H-pyrazol-4-yl)methyl]-4-methoxybenzyl}-4-piperidinyl)amino]-5-methylthieno[2,3-d]pyrimidin-6-yl}(4-morpholinyl)methanon [German] [ACD/IUPAC Name]
{4-[(1-{3-[(3,5-Dimethyl-1H-pyrazol-4-yl)methyl]-4-methoxybenzyl}-4-piperidinyl)amino]-5-methylthieno[2,3-d]pyrimidin-6-yl}(4-morpholinyl)methanone [ACD/IUPAC Name]
{4-[(1-{3-[(3,5-Diméthyl-1H-pyrazol-4-yl)méthyl]-4-méthoxybenzyl}-4-pipéridinyl)amino]-5-méthylthiéno[2,3-d]pyrimidin-6-yl}(4-morpholinyl)méthanone [French] [ACD/IUPAC Name]
Methanone, [4-[[1-[[3-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-4-methoxyphenyl]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: 816.2±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.9 mmHg at 25°C
Enthalpy of Vaporization: 118.6±3.0 kJ/mol
Flash Point: 447.4±34.3 °C
Index of Refraction: 1.665
Molar Refractivity: 167.4±0.3 cm3
#H bond acceptors: 10
#H bond donors: 2
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 2
ACD/LogP: 2.77
ACD/LogD (pH 5.5): 0.78
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 4.09
ACD/LogD (pH 7.4): 2.70
ACD/BCF (pH 7.4): 45.72
ACD/KOC (pH 7.4): 341.54
Polar Surface Area: 137 Å2
Polarizability: 66.4±0.5 10-24cm3
Surface Tension: 66.1±3.0 dyne/cm
Molar Volume: 450.7±3.0 cm3

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