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

[4-({1-[3-(1H-Imidazol-1-ylmethyl)-4-isopropoxybenzyl]-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 ID68712674

More details:

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

[4-({1-[3-(1H-Imidazol-1-ylmethyl)-4-isopropoxybenzyl]-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-isopropoxybenzyl]-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-isopropoxybenzyl]-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-(1-methylethoxy)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: 1.4±0.1 g/cm3
Boiling Point: 802.6±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.8 mmHg at 25°C
Enthalpy of Vaporization: 116.7±3.0 kJ/mol
Flash Point: 439.2±34.3 °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: 1.88
ACD/LogD (pH 5.5): -0.65
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): 2.25
ACD/BCF (pH 7.4): 19.72
ACD/KOC (pH 7.4): 178.20
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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