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

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

  • Molecular FormulaC33H43N7O2
  • Average mass569.740 Da
  • Monoisotopic mass569.347839 Da
  • ChemSpider ID121778564

More details:

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

1-(4-{2-Benzyl-6-[4-(4-methoxyphenyl)-1-piperazinyl]-4-pyrimidinyl}-1-piperazinyl)-3-(1-pyrrolidinyl)-1-propanon [German] [ACD/IUPAC Name]
1-(4-{2-Benzyl-6-[4-(4-methoxyphenyl)-1-piperazinyl]-4-pyrimidinyl}-1-piperazinyl)-3-(1-pyrrolidinyl)-1-propanone [ACD/IUPAC Name]
1-(4-{2-Benzyl-6-[4-(4-méthoxyphényl)-1-pipérazinyl]-4-pyrimidinyl}-1-pipérazinyl)-3-(1-pyrrolidinyl)-1-propanone [French] [ACD/IUPAC Name]
1-Propanone, 1-[4-[6-[4-(4-methoxyphenyl)-1-piperazinyl]-2-(phenylmethyl)-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: 787.3±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.7 mmHg at 25°C
Enthalpy of Vaporization: 114.5±3.0 kJ/mol
Flash Point: 429.9±32.9 °C
Index of Refraction: 1.610
Molar Refractivity: 164.3±0.3 cm3
#H bond acceptors: 9
#H bond donors: 0
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 1
ACD/LogP: 2.32
ACD/LogD (pH 5.5): -0.68
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -0.47
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 68 Å2
Polarizability: 65.1±0.5 10-24cm3
Surface Tension: 54.5±3.0 dyne/cm
Molar Volume: 473.7±3.0 cm3

Click to predict properties on the Chemicalize site


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