ChemSpider 2D Image | 1-[4-(Benzyloxy)phenyl]-3-(4-{[5-chloro-4-(1,4-diazepan-1-yl)-6-oxo-1(6H)-pyridazinyl]methyl}phenyl)urea | C30H31ClN6O3

1-[4-(Benzyloxy)phenyl]-3-(4-{[5-chloro-4-(1,4-diazepan-1-yl)-6-oxo-1(6H)-pyridazinyl]methyl}phenyl)urea

  • Molecular FormulaC30H31ClN6O3
  • Average mass559.058 Da
  • Monoisotopic mass558.214600 Da
  • ChemSpider ID25068048

More details:

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

1-[4-(Benzyloxy)phenyl]-3-(4-{[5-chlor-4-(1,4-diazepan-1-yl)-6-oxo-1(6H)-pyridazinyl]methyl}phenyl)harnstoff [German] [ACD/IUPAC Name]
1-[4-(Benzyloxy)phenyl]-3-(4-{[5-chloro-4-(1,4-diazepan-1-yl)-6-oxo-1(6H)-pyridazinyl]methyl}phenyl)urea [ACD/IUPAC Name]
1-[4-(Benzyloxy)phényl]-3-(4-{[5-chloro-4-(1,4-diazépan-1-yl)-6-oxo-1(6H)-pyridazinyl]méthyl}phényl)urée [French] [ACD/IUPAC Name]
Urea, N-[4-[[5-chloro-4-(hexahydro-1H-1,4-diazepin-1-yl)-6-oxo-1(6H)-pyridazinyl]methyl]phenyl]-N'-[4-(phenylmethoxy)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:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.659
Molar Refractivity: 155.9±0.5 cm3
#H bond acceptors: 9
#H bond donors: 3
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 1
ACD/LogP: 3.68
ACD/LogD (pH 5.5): 0.54
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.83
ACD/LogD (pH 7.4): 0.87
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 3.90
Polar Surface Area: 98 Å2
Polarizability: 61.8±0.5 10-24cm3
Surface Tension: 53.8±7.0 dyne/cm
Molar Volume: 422.9±7.0 cm3

Click to predict properties on the Chemicalize site


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