ChemSpider 2D Image | 1-{4-[6-{[4-(Diethylamino)-2-methylphenyl]amino}-2-(4-methylphenyl)-4-pyrimidinyl]-1-piperazinyl}-3-(4-morpholinyl)-1-propanone | C33H45N7O2

1-{4-[6-{[4-(Diethylamino)-2-methylphenyl]amino}-2-(4-methylphenyl)-4-pyrimidinyl]-1-piperazinyl}-3-(4-morpholinyl)-1-propanone

  • Molecular FormulaC33H45N7O2
  • Average mass571.756 Da
  • Monoisotopic mass571.363464 Da
  • ChemSpider ID121455407

More details:

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

1-{4-[6-{[4-(Diethylamino)-2-methylphenyl]amino}-2-(4-methylphenyl)-4-pyrimidinyl]-1-piperazinyl}-3-(4-morpholinyl)-1-propanon [German] [ACD/IUPAC Name]
1-{4-[6-{[4-(Diethylamino)-2-methylphenyl]amino}-2-(4-methylphenyl)-4-pyrimidinyl]-1-piperazinyl}-3-(4-morpholinyl)-1-propanone [ACD/IUPAC Name]
1-{4-[6-{[4-(Diéthylamino)-2-méthylphényl]amino}-2-(4-méthylphényl)-4-pyrimidinyl]-1-pipérazinyl}-3-(4-morpholinyl)-1-propanone [French] [ACD/IUPAC Name]
1-Propanone, 1-[4-[6-[[4-(diethylamino)-2-methylphenyl]amino]-2-(4-methylphenyl)-4-pyrimidinyl]-1-piperazinyl]-3-(4-morpholinyl)- [ACD/Index Name]

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

Density: 1.2±0.1 g/cm3
Boiling Point: 712.2±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.3 mmHg at 25°C
Enthalpy of Vaporization: 104.1±3.0 kJ/mol
Flash Point: 384.5±32.9 °C
Index of Refraction: 1.611
Molar Refractivity: 168.9±0.3 cm3
#H bond acceptors: 9
#H bond donors: 1
#Freely Rotating Bonds: 10
#Rule of 5 Violations: 1
ACD/LogP: 3.66
ACD/LogD (pH 5.5): 0.86
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.55
ACD/LogD (pH 7.4): 4.14
ACD/BCF (pH 7.4): 690.01
ACD/KOC (pH 7.4): 3003.67
Polar Surface Area: 77 Å2
Polarizability: 66.9±0.5 10-24cm3
Surface Tension: 53.4±3.0 dyne/cm
Molar Volume: 486.4±3.0 cm3

Click to predict properties on the Chemicalize site


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