ChemSpider 2D Image | 1-{6-[4-(1,3-Benzodioxol-5-ylmethyl)-1-piperazinyl]-2-(3-methoxyphenyl)-4-pyrimidinyl}-3-(1-methyl-1H-indol-3-yl)-2-piperazinone | C36H37N7O4

1-{6-[4-(1,3-Benzodioxol-5-ylmethyl)-1-piperazinyl]-2-(3-methoxyphenyl)-4-pyrimidinyl}-3-(1-methyl-1H-indol-3-yl)-2-piperazinone

  • Molecular FormulaC36H37N7O4
  • Average mass631.724 Da
  • Monoisotopic mass631.290710 Da
  • ChemSpider ID121917240

More details:

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

1-{6-[4-(1,3-Benzodioxol-5-ylmethyl)-1-piperazinyl]-2-(3-methoxyphenyl)-4-pyrimidinyl}-3-(1-methyl-1H-indol-3-yl)-2-piperazinon [German] [ACD/IUPAC Name]
1-{6-[4-(1,3-Benzodioxol-5-ylmethyl)-1-piperazinyl]-2-(3-methoxyphenyl)-4-pyrimidinyl}-3-(1-methyl-1H-indol-3-yl)-2-piperazinone [ACD/IUPAC Name]
1-{6-[4-(1,3-Benzodioxol-5-ylméthyl)-1-pipérazinyl]-2-(3-méthoxyphényl)-4-pyrimidinyl}-3-(1-méthyl-1H-indol-3-yl)-2-pipérazinone [French] [ACD/IUPAC Name]
2-Piperazinone, 1-[6-[4-(1,3-benzodioxol-5-ylmethyl)-1-piperazinyl]-2-(3-methoxyphenyl)-4-pyrimidinyl]-3-(1-methyl-1H-indol-3-yl)- [ACD/Index Name]

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

Density: 1.4±0.1 g/cm3
Boiling Point: 823.2±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.0 mmHg at 25°C
Enthalpy of Vaporization: 119.6±3.0 kJ/mol
Flash Point: 451.7±34.3 °C
Index of Refraction: 1.710
Molar Refractivity: 177.7±0.5 cm3
#H bond acceptors: 11
#H bond donors: 1
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 2
ACD/LogP: 3.87
ACD/LogD (pH 5.5): 2.08
ACD/BCF (pH 5.5): 9.92
ACD/KOC (pH 5.5): 68.80
ACD/LogD (pH 7.4): 3.49
ACD/BCF (pH 7.4): 257.42
ACD/KOC (pH 7.4): 1784.87
Polar Surface Area: 97 Å2
Polarizability: 70.4±0.5 10-24cm3
Surface Tension: 57.0±7.0 dyne/cm
Molar Volume: 455.0±7.0 cm3

Click to predict properties on the Chemicalize site


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