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

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

  • Molecular FormulaC33H45N7O2
  • Average mass571.756 Da
  • Monoisotopic mass571.363464 Da
  • ChemSpider ID121403234

More details:

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

1-[4-(2-Benzyl-6-{[4-(diethylamino)-2-methylphenyl]amino}-4-pyrimidinyl)-1-piperazinyl]-3-(4-morpholinyl)-1-propanon [German] [ACD/IUPAC Name]
1-[4-(2-Benzyl-6-{[4-(diethylamino)-2-methylphenyl]amino}-4-pyrimidinyl)-1-piperazinyl]-3-(4-morpholinyl)-1-propanone [ACD/IUPAC Name]
1-[4-(2-Benzyl-6-{[4-(diéthylamino)-2-méthylphényl]amino}-4-pyrimidinyl)-1-pipérazinyl]-3-(4-morpholinyl)-1-propanone [French] [ACD/IUPAC Name]
1-Propanone, 1-[4-[6-[[4-(diethylamino)-2-methylphenyl]amino]-2-(phenylmethyl)-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: 776.1±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.7 mmHg at 25°C
Enthalpy of Vaporization: 113.0±3.0 kJ/mol
Flash Point: 423.2±32.9 °C
Index of Refraction: 1.614
Molar Refractivity: 168.8±0.3 cm3
#H bond acceptors: 9
#H bond donors: 1
#Freely Rotating Bonds: 11
#Rule of 5 Violations: 1
ACD/LogP: 4.11
ACD/LogD (pH 5.5): 0.34
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): 3.82
ACD/BCF (pH 7.4): 340.14
ACD/KOC (pH 7.4): 1528.38
Polar Surface Area: 77 Å2
Polarizability: 66.9±0.5 10-24cm3
Surface Tension: 54.6±3.0 dyne/cm
Molar Volume: 484.3±3.0 cm3

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