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

[4-({1-[4-Isopropoxy-3-(1H-pyrazol-1-ylmethyl)benzyl]-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 ID68734809

More details:

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

[4-({1-[4-Isopropoxy-3-(1H-pyrazol-1-ylmethyl)benzyl]-4-piperidinyl}amino)-5-methylthieno[2,3-d]pyrimidin-6-yl](4-morpholinyl)methanon [German] [ACD/IUPAC Name]
[4-({1-[4-Isopropoxy-3-(1H-pyrazol-1-ylmethyl)benzyl]-4-piperidinyl}amino)-5-methylthieno[2,3-d]pyrimidin-6-yl](4-morpholinyl)methanone [ACD/IUPAC Name]
[4-({1-[4-Isopropoxy-3-(1H-pyrazol-1-ylméthyl)benzyl]-4-pipéridinyl}amino)-5-méthylthiéno[2,3-d]pyrimidin-6-yl](4-morpholinyl)méthanone [French] [ACD/IUPAC Name]
Methanone, [5-methyl-4-[[1-[[4-(1-methylethoxy)-3-(1H-pyrazol-1-ylmethyl)phenyl]methyl]-4-piperidinyl]amino]thieno[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: 1.4±0.1 g/cm3
Boiling Point: 790.4±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.8 mmHg at 25°C
Enthalpy of Vaporization: 115.0±3.0 kJ/mol
Flash Point: 431.8±32.9 °C
Index of Refraction: 1.688
Molar Refractivity: 165.1±0.5 cm3
#H bond acceptors: 10
#H bond donors: 1
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 2
ACD/LogP: 2.20
ACD/LogD (pH 5.5): 0.67
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 3.86
ACD/LogD (pH 7.4): 2.55
ACD/BCF (pH 7.4): 35.83
ACD/KOC (pH 7.4): 295.28
Polar Surface Area: 126 Å2
Polarizability: 65.4±0.5 10-24cm3
Surface Tension: 54.2±7.0 dyne/cm
Molar Volume: 433.0±7.0 cm3

Click to predict properties on the Chemicalize site


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