ChemSpider 2D Image | 1-(4-{2-(3-Methoxyphenyl)-6-[4-(3-methylphenyl)-1-piperazinyl]-4-pyrimidinyl}-1-piperazinyl)-3-(1-pyrrolidinyl)-1-propanone | C33H43N7O2

1-(4-{2-(3-Methoxyphenyl)-6-[4-(3-methylphenyl)-1-piperazinyl]-4-pyrimidinyl}-1-piperazinyl)-3-(1-pyrrolidinyl)-1-propanone

  • Molecular FormulaC33H43N7O2
  • Average mass569.740 Da
  • Monoisotopic mass569.347839 Da
  • ChemSpider ID121919056

More details:

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

1-(4-{2-(3-Methoxyphenyl)-6-[4-(3-methylphenyl)-1-piperazinyl]-4-pyrimidinyl}-1-piperazinyl)-3-(1-pyrrolidinyl)-1-propanon [German] [ACD/IUPAC Name]
1-(4-{2-(3-Methoxyphenyl)-6-[4-(3-methylphenyl)-1-piperazinyl]-4-pyrimidinyl}-1-piperazinyl)-3-(1-pyrrolidinyl)-1-propanone [ACD/IUPAC Name]
1-(4-{2-(3-Méthoxyphényl)-6-[4-(3-méthylphényl)-1-pipérazinyl]-4-pyrimidinyl}-1-pipérazinyl)-3-(1-pyrrolidinyl)-1-propanone [French] [ACD/IUPAC Name]
1-Propanone, 1-[4-[2-(3-methoxyphenyl)-6-[4-(3-methylphenyl)-1-piperazinyl]-4-pyrimidinyl]-1-piperazinyl]-3-(1-pyrrolidinyl)- [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: 727.8±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.4 mmHg at 25°C
Enthalpy of Vaporization: 106.3±3.0 kJ/mol
Flash Point: 394.0±32.9 °C
Index of Refraction: 1.607
Molar Refractivity: 164.4±0.3 cm3
#H bond acceptors: 9
#H bond donors: 0
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 1
ACD/LogP: 3.73
ACD/LogD (pH 5.5): -0.15
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -0.04
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 68 Å2
Polarizability: 65.2±0.5 10-24cm3
Surface Tension: 53.2±3.0 dyne/cm
Molar Volume: 475.8±3.0 cm3

Click to predict properties on the Chemicalize site


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