ChemSpider 2D Image | {3-[Isopropyl(2-{[3-(methylsulfonyl)-5-(4-morpholinyl)phenyl]amino}-4-pyrimidinyl)amino]-4-methylphenyl}methanol | C26H33N5O4S

{3-[Isopropyl(2-{[3-(methylsulfonyl)-5-(4-morpholinyl)phenyl]amino}-4-pyrimidinyl)amino]-4-methylphenyl}methanol

  • Molecular FormulaC26H33N5O4S
  • Average mass511.636 Da
  • Monoisotopic mass511.225311 Da
  • ChemSpider ID26326188

More details:

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

{3-[Isopropyl(2-{[3-(methylsulfonyl)-5-(4-morpholinyl)phenyl]amino}-4-pyrimidinyl)amino]-4-methylphenyl}methanol [German] [ACD/IUPAC Name]
{3-[Isopropyl(2-{[3-(methylsulfonyl)-5-(4-morpholinyl)phenyl]amino}-4-pyrimidinyl)amino]-4-methylphenyl}methanol [ACD/IUPAC Name]
{3-[Isopropyl(2-{[3-(méthylsulfonyl)-5-(4-morpholinyl)phényl]amino}-4-pyrimidinyl)amino]-4-méthylphényl}méthanol [French] [ACD/IUPAC Name]
{4-Methyl-3-[(1-Methylethyl)(2-{[3-(Methylsulfonyl)-5-Morpholin-4-Ylphenyl]amino}pyrimidin-4-Yl)amino]phenyl}methanol
Benzenemethanol, 4-methyl-3-[(1-methylethyl)[2-[[3-(methylsulfonyl)-5-(4-morpholinyl)phenyl]amino]-4-pyrimidinyl]amino]- [ACD/Index Name]
AS6

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

Density: 1.3±0.1 g/cm3
Boiling Point: 788.4±70.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.9 mmHg at 25°C
Enthalpy of Vaporization: 120.3±3.0 kJ/mol
Flash Point: 430.6±35.7 °C
Index of Refraction: 1.624
Molar Refractivity: 139.5±0.4 cm3
#H bond acceptors: 9
#H bond donors: 2
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 1
ACD/LogP: 0.94
ACD/LogD (pH 5.5): 2.33
ACD/BCF (pH 5.5): 26.89
ACD/KOC (pH 5.5): 271.21
ACD/LogD (pH 7.4): 2.78
ACD/BCF (pH 7.4): 76.30
ACD/KOC (pH 7.4): 769.48
Polar Surface Area: 116 Å2
Polarizability: 55.3±0.5 10-24cm3
Surface Tension: 60.2±3.0 dyne/cm
Molar Volume: 395.1±3.0 cm3

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