ChemSpider 2D Image | 1-(4-{6-[4-(1,3-Benzodioxol-5-ylmethyl)-1-piperazinyl]-2-(2-methoxyethyl)-4-pyrimidinyl}-1-piperazinyl)-3-(1-pyrrolidinyl)-1-propanone | C30H43N7O4

1-(4-{6-[4-(1,3-Benzodioxol-5-ylmethyl)-1-piperazinyl]-2-(2-methoxyethyl)-4-pyrimidinyl}-1-piperazinyl)-3-(1-pyrrolidinyl)-1-propanone

  • Molecular FormulaC30H43N7O4
  • Average mass565.707 Da
  • Monoisotopic mass565.337646 Da
  • ChemSpider ID121818791

More details:

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

1-(4-{6-[4-(1,3-Benzodioxol-5-ylmethyl)-1-piperazinyl]-2-(2-methoxyethyl)-4-pyrimidinyl}-1-piperazinyl)-3-(1-pyrrolidinyl)-1-propanon [German] [ACD/IUPAC Name]
1-(4-{6-[4-(1,3-Benzodioxol-5-ylmethyl)-1-piperazinyl]-2-(2-methoxyethyl)-4-pyrimidinyl}-1-piperazinyl)-3-(1-pyrrolidinyl)-1-propanone [ACD/IUPAC Name]
1-(4-{6-[4-(1,3-Benzodioxol-5-ylméthyl)-1-pipérazinyl]-2-(2-méthoxyéthyl)-4-pyrimidinyl}-1-pipérazinyl)-3-(1-pyrrolidinyl)-1-propanone [French] [ACD/IUPAC Name]
1-Propanone, 1-[4-[6-[4-(1,3-benzodioxol-5-ylmethyl)-1-piperazinyl]-2-(2-methoxyethyl)-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: 1.3±0.1 g/cm3
Boiling Point: 747.1±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.5 mmHg at 25°C
Enthalpy of Vaporization: 108.9±3.0 kJ/mol
Flash Point: 405.6±32.9 °C
Index of Refraction: 1.603
Molar Refractivity: 155.1±0.3 cm3
#H bond acceptors: 11
#H bond donors: 0
#Freely Rotating Bonds: 10
#Rule of 5 Violations: 2
ACD/LogP: 0.57
ACD/LogD (pH 5.5): -2.77
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -2.53
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 87 Å2
Polarizability: 61.5±0.5 10-24cm3
Surface Tension: 57.5±3.0 dyne/cm
Molar Volume: 451.3±3.0 cm3

Click to predict properties on the Chemicalize site


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