ChemSpider 2D Image | N-(2,3-Dihydro-1,4-benzodioxin-2-ylmethyl)-2-{2-[(4-phenyl-1-piperazinyl)methyl]-4-(2-pyrimidinyl)phenoxy}acetamide | C32H33N5O4

N-(2,3-Dihydro-1,4-benzodioxin-2-ylmethyl)-2-{2-[(4-phenyl-1-piperazinyl)methyl]-4-(2-pyrimidinyl)phenoxy}acetamide

  • Molecular FormulaC32H33N5O4
  • Average mass551.635 Da
  • Monoisotopic mass551.253235 Da
  • ChemSpider ID22161630

More details:

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

Acetamide, N-[(2,3-dihydro-1,4-benzodioxin-2-yl)methyl]-2-[2-[(4-phenyl-1-piperazinyl)methyl]-4-(2-pyrimidinyl)phenoxy]- [ACD/Index Name]
N-(2,3-Dihydro-1,4-benzodioxin-2-ylmethyl)-2-{2-[(4-phenyl-1-piperazinyl)methyl]-4-(2-pyrimidinyl)phenoxy}acetamid [German] [ACD/IUPAC Name]
N-(2,3-Dihydro-1,4-benzodioxin-2-ylmethyl)-2-{2-[(4-phenyl-1-piperazinyl)methyl]-4-(2-pyrimidinyl)phenoxy}acetamide [ACD/IUPAC Name]
N-(2,3-Dihydro-1,4-benzodioxin-2-ylméthyl)-2-{2-[(4-phényl-1-pipérazinyl)méthyl]-4-(2-pyrimidinyl)phénoxy}acétamide [French] [ACD/IUPAC Name]
N-(2,3-dihydro-1,4-benzodioxin-2-ylmethyl)-2-[2-[(4-phenyl-1-piperazinyl)methyl]-4-(2-pyrimidinyl)phenoxy]acetamide

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

Density: 1.3±0.1 g/cm3
Boiling Point: 714.1±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.3 mmHg at 25°C
Enthalpy of Vaporization: 104.4±3.0 kJ/mol
Flash Point: 385.7±32.9 °C
Index of Refraction: 1.620
Molar Refractivity: 154.6±0.3 cm3
#H bond acceptors: 9
#H bond donors: 1
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 1
ACD/LogP: 4.03
ACD/LogD (pH 5.5): 3.15
ACD/BCF (pH 5.5): 91.08
ACD/KOC (pH 5.5): 499.64
ACD/LogD (pH 7.4): 3.98
ACD/BCF (pH 7.4): 616.24
ACD/KOC (pH 7.4): 3380.41
Polar Surface Area: 89 Å2
Polarizability: 61.3±0.5 10-24cm3
Surface Tension: 54.8±3.0 dyne/cm
Molar Volume: 440.1±3.0 cm3

Click to predict properties on the Chemicalize site


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