ChemSpider 2D Image | [4-({1-[3-Ethoxy-4-(2-hydroxyethoxy)benzyl]-4-piperidinyl}amino)-5-methylthieno[2,3-d]pyrimidin-6-yl](4-morpholinyl)methanone | C28H37N5O5S

[4-({1-[3-Ethoxy-4-(2-hydroxyethoxy)benzyl]-4-piperidinyl}amino)-5-methylthieno[2,3-d]pyrimidin-6-yl](4-morpholinyl)methanone

  • Molecular FormulaC28H37N5O5S
  • Average mass555.689 Da
  • Monoisotopic mass555.251526 Da
  • ChemSpider ID68719467

More details:

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

[4-({1-[3-Ethoxy-4-(2-hydroxyethoxy)benzyl]-4-piperidinyl}amino)-5-methylthieno[2,3-d]pyrimidin-6-yl](4-morpholinyl)methanon [German] [ACD/IUPAC Name]
[4-({1-[3-Ethoxy-4-(2-hydroxyethoxy)benzyl]-4-piperidinyl}amino)-5-methylthieno[2,3-d]pyrimidin-6-yl](4-morpholinyl)methanone [ACD/IUPAC Name]
[4-({1-[3-Éthoxy-4-(2-hydroxyéthoxy)benzyl]-4-pipéridinyl}amino)-5-méthylthiéno[2,3-d]pyrimidin-6-yl](4-morpholinyl)méthanone [French] [ACD/IUPAC Name]
Methanone, [4-[[1-[[3-ethoxy-4-(2-hydroxyethoxy)phenyl]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: 765.7±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.7 mmHg at 25°C
Enthalpy of Vaporization: 117.0±3.0 kJ/mol
Flash Point: 416.9±32.9 °C
Index of Refraction: 1.648
Molar Refractivity: 153.4±0.3 cm3
#H bond acceptors: 10
#H bond donors: 2
#Freely Rotating Bonds: 10
#Rule of 5 Violations: 2
ACD/LogP: 1.14
ACD/LogD (pH 5.5): -0.59
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): 1.28
ACD/BCF (pH 7.4): 4.13
ACD/KOC (pH 7.4): 68.25
Polar Surface Area: 138 Å2
Polarizability: 60.8±0.5 10-24cm3
Surface Tension: 64.5±3.0 dyne/cm
Molar Volume: 421.7±3.0 cm3

Click to predict properties on the Chemicalize site


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