ChemSpider 2D Image | {trans-2-[4-(4-Fluorophenyl)-5-{2-[(2-thienylmethyl)amino]-4-pyrimidinyl}-1H-imidazol-2-yl]-5-methyl-1,3-dioxan-5-yl}(4-morpholinyl)methanone | C28H29FN6O4S

{trans-2-[4-(4-Fluorophenyl)-5-{2-[(2-thienylmethyl)amino]-4-pyrimidinyl}-1H-imidazol-2-yl]-5-methyl-1,3-dioxan-5-yl}(4-morpholinyl)methanone

  • Molecular FormulaC28H29FN6O4S
  • Average mass564.631 Da
  • Monoisotopic mass564.195496 Da
  • ChemSpider ID23231759

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

{trans-2-[4-(4-Fluorophenyl)-5-{2-[(2-thienylmethyl)amino]-4-pyrimidinyl}-1H-imidazol-2-yl]-5-methyl-1,3-dioxan-5-yl}(4-morpholinyl)methanone [ACD/IUPAC Name]
{trans-2-[4-(4-Fluorophényl)-5-{2-[(2-thiénylméthyl)amino]-4-pyrimidinyl}-1H-imidazol-2-yl]-5-méthyl-1,3-dioxan-5-yl}(4-morpholinyl)méthanone [French] [ACD/IUPAC Name]
{trans-2-[4-(4-fluorophenyl)-5-{2-[(thiophen-2-ylmethyl)amino]pyrimidin-4-yl}-1H-imidazol-2-yl]-5-methyl-1,3-dioxan-5-yl}(morpholin-4-yl)methanone
{trans-2-[4-(4-Fluorphenyl)-5-{2-[(2-thienylmethyl)amino]-4-pyrimidinyl}-1H-imidazol-2-yl]-5-methyl-1,3-dioxan-5-yl}(4-morpholinyl)methanon [German] [ACD/IUPAC Name]
Methanone, [trans-2-[4-(4-fluorophenyl)-5-[2-[(2-thienylmethyl)amino]-4-pyrimidinyl]-1H-imidazol-2-yl]-5-methyl-1,3-dioxan-5-yl]-4-morpholinyl- [ACD/Index Name]
[2-(4-(4-Fluoro-phenyl)-5-{2-[(thiophen-2-ylmethyl)-amino]-pyrimidin-4-yl}-1H-imidazol-2-yl)-5-methyl-[1,3]dioxan-5-yl]-morpholin-4-yl-methanone

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

Density: 1.4±0.1 g/cm3
Boiling Point: 839.5±75.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.1 mmHg at 25°C
Enthalpy of Vaporization: 122.0±3.0 kJ/mol
Flash Point: 461.5±37.1 °C
Index of Refraction: 1.639
Molar Refractivity: 147.3±0.3 cm3
#H bond acceptors: 10
#H bond donors: 2
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 2
ACD/LogP: 4.06
ACD/LogD (pH 5.5): 3.27
ACD/BCF (pH 5.5): 180.50
ACD/KOC (pH 5.5): 1431.81
ACD/LogD (pH 7.4): 3.28
ACD/BCF (pH 7.4): 181.71
ACD/KOC (pH 7.4): 1441.44
Polar Surface Area: 143 Å2
Polarizability: 58.4±0.5 10-24cm3
Surface Tension: 63.7±3.0 dyne/cm
Molar Volume: 409.4±3.0 cm3

Click to predict properties on the Chemicalize site


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