ChemSpider 2D Image | N-(2-{4-[6-(3,4-Dimethoxyphenyl)-3-pyridazinyl]-1,4-diazepan-1-yl}-2-oxoethyl)-N-isopropyl-1,3-benzodioxole-5-carboxamide | C30H35N5O6

N-(2-{4-[6-(3,4-Dimethoxyphenyl)-3-pyridazinyl]-1,4-diazepan-1-yl}-2-oxoethyl)-N-isopropyl-1,3-benzodioxole-5-carboxamide

  • Molecular FormulaC30H35N5O6
  • Average mass561.629 Da
  • Monoisotopic mass561.258728 Da
  • ChemSpider ID22676719

More details:

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

1,3-Benzodioxole-5-carboxamide, N-[2-[4-[6-(3,4-dimethoxyphenyl)-3-pyridazinyl]hexahydro-1H-1,4-diazepin-1-yl]-2-oxoethyl]-N-(1-methylethyl)- [ACD/Index Name]
N-(2-{4-[6-(3,4-Dimethoxyphenyl)-3-pyridazinyl]-1,4-diazepan-1-yl}-2-oxoethyl)-N-isopropyl-1,3-benzodioxol-5-carboxamid [German] [ACD/IUPAC Name]
N-(2-{4-[6-(3,4-Dimethoxyphenyl)-3-pyridazinyl]-1,4-diazepan-1-yl}-2-oxoethyl)-N-isopropyl-1,3-benzodioxole-5-carboxamide [ACD/IUPAC Name]
N-(2-{4-[6-(3,4-Diméthoxyphényl)-3-pyridazinyl]-1,4-diazépan-1-yl}-2-oxoéthyl)-N-isopropyl-1,3-benzodioxole-5-carboxamide [French] [ACD/IUPAC 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: 810.4±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.9 mmHg at 25°C
Enthalpy of Vaporization: 117.8±3.0 kJ/mol
Flash Point: 443.9±34.3 °C
Index of Refraction: 1.594
Molar Refractivity: 151.3±0.3 cm3
#H bond acceptors: 11
#H bond donors: 0
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 2
ACD/LogP: 1.39
ACD/LogD (pH 5.5): 1.75
ACD/BCF (pH 5.5): 10.65
ACD/KOC (pH 5.5): 155.09
ACD/LogD (pH 7.4): 2.05
ACD/BCF (pH 7.4): 21.15
ACD/KOC (pH 7.4): 308.11
Polar Surface Area: 107 Å2
Polarizability: 60.0±0.5 10-24cm3
Surface Tension: 53.3±3.0 dyne/cm
Molar Volume: 445.7±3.0 cm3

Click to predict properties on the Chemicalize site


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