ChemSpider 2D Image | 3-Fluoro-N-(2-furylmethyl)-N-(2-{4-[6-(4-methylphenyl)-3-pyridazinyl]-1,4-diazepan-1-yl}-2-oxoethyl)benzamide | C30H30FN5O3

3-Fluoro-N-(2-furylmethyl)-N-(2-{4-[6-(4-methylphenyl)-3-pyridazinyl]-1,4-diazepan-1-yl}-2-oxoethyl)benzamide

  • Molecular FormulaC30H30FN5O3
  • Average mass527.589 Da
  • Monoisotopic mass527.233276 Da
  • ChemSpider ID22676456

More details:

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

3-Fluor-N-(2-furylmethyl)-N-(2-{4-[6-(4-methylphenyl)-3-pyridazinyl]-1,4-diazepan-1-yl}-2-oxoethyl)benzamid [German] [ACD/IUPAC Name]
3-Fluoro-N-(2-furylmethyl)-N-(2-{4-[6-(4-methylphenyl)-3-pyridazinyl]-1,4-diazepan-1-yl}-2-oxoethyl)benzamide [ACD/IUPAC Name]
3-Fluoro-N-(2-furylméthyl)-N-(2-{4-[6-(4-méthylphényl)-3-pyridazinyl]-1,4-diazépan-1-yl}-2-oxoéthyl)benzamide [French] [ACD/IUPAC Name]
Benzamide, 3-fluoro-N-(2-furanylmethyl)-N-[2-[hexahydro-4-[6-(4-methylphenyl)-3-pyridazinyl]-1H-1,4-diazepin-1-yl]-2-oxoethyl]- [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: 795.4±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.8 mmHg at 25°C
Enthalpy of Vaporization: 115.7±3.0 kJ/mol
Flash Point: 434.9±32.9 °C
Index of Refraction: 1.608
Molar Refractivity: 144.2±0.3 cm3
#H bond acceptors: 8
#H bond donors: 0
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 1
ACD/LogP: 3.43
ACD/LogD (pH 5.5): 3.38
ACD/BCF (pH 5.5): 172.50
ACD/KOC (pH 5.5): 1053.74
ACD/LogD (pH 7.4): 3.79
ACD/BCF (pH 7.4): 446.64
ACD/KOC (pH 7.4): 2728.37
Polar Surface Area: 83 Å2
Polarizability: 57.2±0.5 10-24cm3
Surface Tension: 55.0±3.0 dyne/cm
Molar Volume: 417.1±3.0 cm3

Click to predict properties on the Chemicalize site


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