ChemSpider 2D Image | 1-(1-Methyl-2-{2-[4-(4-methyl-1-phthalazinyl)-1-piperazinyl]ethyl}-1H-benzimidazol-5-yl)-3-phenylurea | C30H32N8O

1-(1-Methyl-2-{2-[4-(4-methyl-1-phthalazinyl)-1-piperazinyl]ethyl}-1H-benzimidazol-5-yl)-3-phenylurea

  • Molecular FormulaC30H32N8O
  • Average mass520.628 Da
  • Monoisotopic mass520.269897 Da
  • ChemSpider ID4923573

More details:

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

1-(1-Méthyl-2-{2-[4-(4-méthyl-1-phtalazinyl)-1-pipérazinyl]éthyl}-1H-benzimidazol-5-yl)-3-phénylurée [French] [ACD/IUPAC Name]
1-(1-Methyl-2-{2-[4-(4-methyl-1-phthalazinyl)-1-piperazinyl]ethyl}-1H-benzimidazol-5-yl)-3-phenylharnstoff [German] [ACD/IUPAC Name]
1-(1-Methyl-2-{2-[4-(4-methyl-1-phthalazinyl)-1-piperazinyl]ethyl}-1H-benzimidazol-5-yl)-3-phenylurea [ACD/IUPAC Name]
Urea, N-[1-methyl-2-[2-[4-(4-methyl-1-phthalazinyl)-1-piperazinyl]ethyl]-1H-benzimidazol-5-yl]-N'-phenyl- [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: 732.3±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.4 mmHg at 25°C
Enthalpy of Vaporization: 106.9±3.0 kJ/mol
Flash Point: 396.7±32.9 °C
Index of Refraction: 1.702
Molar Refractivity: 153.1±0.5 cm3
#H bond acceptors: 9
#H bond donors: 2
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 1
ACD/LogP: 4.18
ACD/LogD (pH 5.5): 0.99
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 2.66
ACD/LogD (pH 7.4): 2.91
ACD/BCF (pH 7.4): 45.65
ACD/KOC (pH 7.4): 221.65
Polar Surface Area: 91 Å2
Polarizability: 60.7±0.5 10-24cm3
Surface Tension: 54.9±7.0 dyne/cm
Molar Volume: 395.2±7.0 cm3

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