ChemSpider 2D Image | 1-[4-(6-{[4-(4-Methyl-1-piperidinyl)phenyl]amino}-2-phenyl-4-pyrimidinyl)-1-piperazinyl]-3-(4-morpholinyl)-1-propanone | C33H43N7O2

1-[4-(6-{[4-(4-Methyl-1-piperidinyl)phenyl]amino}-2-phenyl-4-pyrimidinyl)-1-piperazinyl]-3-(4-morpholinyl)-1-propanone

  • Molecular FormulaC33H43N7O2
  • Average mass569.740 Da
  • Monoisotopic mass569.347839 Da
  • ChemSpider ID121449395

More details:

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

1-[4-(6-{[4-(4-Methyl-1-piperidinyl)phenyl]amino}-2-phenyl-4-pyrimidinyl)-1-piperazinyl]-3-(4-morpholinyl)-1-propanon [German] [ACD/IUPAC Name]
1-[4-(6-{[4-(4-Methyl-1-piperidinyl)phenyl]amino}-2-phenyl-4-pyrimidinyl)-1-piperazinyl]-3-(4-morpholinyl)-1-propanone [ACD/IUPAC Name]
1-[4-(6-{[4-(4-Méthyl-1-pipéridinyl)phényl]amino}-2-phényl-4-pyrimidinyl)-1-pipérazinyl]-3-(4-morpholinyl)-1-propanone [French] [ACD/IUPAC Name]
1-Propanone, 1-[4-[6-[[4-(4-methyl-1-piperidinyl)phenyl]amino]-2-phenyl-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: 727.6±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.4 mmHg at 25°C
Enthalpy of Vaporization: 106.2±3.0 kJ/mol
Flash Point: 393.8±32.9 °C
Index of Refraction: 1.612
Molar Refractivity: 165.2±0.3 cm3
#H bond acceptors: 9
#H bond donors: 1
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 1
ACD/LogP: 2.79
ACD/LogD (pH 5.5): 0.88
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 5.02
ACD/LogD (pH 7.4): 3.26
ACD/BCF (pH 7.4): 160.13
ACD/KOC (pH 7.4): 1183.38
Polar Surface Area: 77 Å2
Polarizability: 65.5±0.5 10-24cm3
Surface Tension: 53.8±3.0 dyne/cm
Molar Volume: 475.1±3.0 cm3

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