ChemSpider 2D Image | 1-(2-{4-[6-(4-Methoxyphenyl)-3-pyridazinyl]-1,4-diazepan-1-yl}-2-oxoethyl)-3-(4-methylphenyl)-1-(tetrahydro-2-furanylmethyl)urea | C31H38N6O4

1-(2-{4-[6-(4-Methoxyphenyl)-3-pyridazinyl]-1,4-diazepan-1-yl}-2-oxoethyl)-3-(4-methylphenyl)-1-(tetrahydro-2-furanylmethyl)urea

  • Molecular FormulaC31H38N6O4
  • Average mass558.671 Da
  • Monoisotopic mass558.295471 Da
  • ChemSpider ID22678512

More details:

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

1-(2-{4-[6-(4-Methoxyphenyl)-3-pyridazinyl]-1,4-diazepan-1-yl}-2-oxoethyl)-3-(4-methylphenyl)-1-(tetrahydro-2-furanylmethyl)harnstoff [German] [ACD/IUPAC Name]
1-(2-{4-[6-(4-Methoxyphenyl)-3-pyridazinyl]-1,4-diazepan-1-yl}-2-oxoethyl)-3-(4-methylphenyl)-1-(tetrahydro-2-furanylmethyl)urea [ACD/IUPAC Name]
1-(2-{4-[6-(4-Méthoxyphényl)-3-pyridazinyl]-1,4-diazépan-1-yl}-2-oxoéthyl)-3-(4-méthylphényl)-1-(tétrahydro-2-furanylméthyl)urée [French] [ACD/IUPAC Name]
Urea, N-[2-[hexahydro-4-[6-(4-methoxyphenyl)-3-pyridazinyl]-1H-1,4-diazepin-1-yl]-2-oxoethyl]-N'-(4-methylphenyl)-N-[(tetrahydro-2-furanyl)methyl]- [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: 851.7±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.2 mmHg at 25°C
Enthalpy of Vaporization: 123.8±3.0 kJ/mol
Flash Point: 468.9±34.3 °C
Index of Refraction: 1.610
Molar Refractivity: 156.4±0.3 cm3
#H bond acceptors: 10
#H bond donors: 1
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 2
ACD/LogP: 2.61
ACD/LogD (pH 5.5): 2.98
ACD/BCF (pH 5.5): 85.06
ACD/KOC (pH 5.5): 629.12
ACD/LogD (pH 7.4): 3.41
ACD/BCF (pH 7.4): 227.65
ACD/KOC (pH 7.4): 1683.68
Polar Surface Area: 100 Å2
Polarizability: 62.0±0.5 10-24cm3
Surface Tension: 56.4±3.0 dyne/cm
Molar Volume: 450.8±3.0 cm3

Click to predict properties on the Chemicalize site


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