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

[4-({1-[3-(1H-Imidazol-1-ylmethyl)-4-propoxybenzyl]-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 ID68421682

More details:

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

[4-({1-[3-(1H-Imidazol-1-ylmethyl)-4-propoxybenzyl]-4-piperidinyl}amino)-5-methylthieno[2,3-d]pyrimidin-6-yl](4-morpholinyl)methanon [German] [ACD/IUPAC Name]
[4-({1-[3-(1H-Imidazol-1-ylmethyl)-4-propoxybenzyl]-4-piperidinyl}amino)-5-methylthieno[2,3-d]pyrimidin-6-yl](4-morpholinyl)methanone [ACD/IUPAC Name]
[4-({1-[3-(1H-Imidazol-1-ylméthyl)-4-propoxybenzyl]-4-pipéridinyl}amino)-5-méthylthiéno[2,3-d]pyrimidin-6-yl](4-morpholinyl)méthanone [French] [ACD/IUPAC Name]
Methanone, [4-[[1-[[3-(1H-imidazol-1-ylmethyl)-4-propoxyphenyl]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: 1.4±0.1 g/cm3
Boiling Point: 807.2±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.9 mmHg at 25°C
Enthalpy of Vaporization: 117.4±3.0 kJ/mol
Flash Point: 442.0±34.3 °C
Index of Refraction: 1.687
Molar Refractivity: 165.3±0.5 cm3
#H bond acceptors: 10
#H bond donors: 1
#Freely Rotating Bonds: 10
#Rule of 5 Violations: 2
ACD/LogP: 2.06
ACD/LogD (pH 5.5): -0.72
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): 2.18
ACD/BCF (pH 7.4): 17.58
ACD/KOC (pH 7.4): 164.34
Polar Surface Area: 126 Å2
Polarizability: 65.5±0.5 10-24cm3
Surface Tension: 55.2±7.0 dyne/cm
Molar Volume: 433.8±7.0 cm3

Click to predict properties on the Chemicalize site


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