ChemSpider 2D Image | 1-(4-Biphenylyl)-3-(3-{[3-chloro-4-(1,4-diazepan-1-yl)-6-oxo-1(6H)-pyridazinyl]methyl}-4-methoxyphenyl)urea | C30H31ClN6O3

1-(4-Biphenylyl)-3-(3-{[3-chloro-4-(1,4-diazepan-1-yl)-6-oxo-1(6H)-pyridazinyl]methyl}-4-methoxyphenyl)urea

  • Molecular FormulaC30H31ClN6O3
  • Average mass559.058 Da
  • Monoisotopic mass558.214600 Da
  • ChemSpider ID25067276

More details:

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

1-(4-Biphenylyl)-3-(3-{[3-chlor-4-(1,4-diazepan-1-yl)-6-oxo-1(6H)-pyridazinyl]methyl}-4-methoxyphenyl)harnstoff [German] [ACD/IUPAC Name]
1-(4-Biphenylyl)-3-(3-{[3-chloro-4-(1,4-diazepan-1-yl)-6-oxo-1(6H)-pyridazinyl]methyl}-4-methoxyphenyl)urea [ACD/IUPAC Name]
1-(4-Biphénylyl)-3-(3-{[3-chloro-4-(1,4-diazépan-1-yl)-6-oxo-1(6H)-pyridazinyl]méthyl}-4-méthoxyphényl)urée [French] [ACD/IUPAC Name]
Urea, N-[1,1'-biphenyl]-4-yl-N'-[3-[[3-chloro-4-(hexahydro-1H-1,4-diazepin-1-yl)-6-oxo-1(6H)-pyridazinyl]methyl]-4-methoxyphenyl]- [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:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.659
Molar Refractivity: 155.7±0.5 cm3
#H bond acceptors: 9
#H bond donors: 3
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 1
ACD/LogP: 4.74
ACD/LogD (pH 5.5): 0.82
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 2.60
ACD/LogD (pH 7.4): 1.35
ACD/BCF (pH 7.4): 1.54
ACD/KOC (pH 7.4): 8.91
Polar Surface Area: 98 Å2
Polarizability: 61.7±0.5 10-24cm3
Surface Tension: 52.8±7.0 dyne/cm
Molar Volume: 422.1±7.0 cm3

Click to predict properties on the Chemicalize site


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