ChemSpider 2D Image | N-(2-{4-[6-(3,4-Dimethoxyphenyl)-3-pyridazinyl]-1,4-diazepan-1-yl}-2-oxoethyl)-N-isobutyl-3-methoxybenzamide | C31H39N5O5

N-(2-{4-[6-(3,4-Dimethoxyphenyl)-3-pyridazinyl]-1,4-diazepan-1-yl}-2-oxoethyl)-N-isobutyl-3-methoxybenzamide

  • Molecular FormulaC31H39N5O5
  • Average mass561.672 Da
  • Monoisotopic mass561.295105 Da
  • ChemSpider ID22677505

More details:






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

Benzamide, N-[2-[4-[6-(3,4-dimethoxyphenyl)-3-pyridazinyl]hexahydro-1H-1,4-diazepin-1-yl]-2-oxoethyl]-3-methoxy-N-(2-methylpropyl)- [ACD/Index Name]
N-(2-{4-[6-(3,4-Dimethoxyphenyl)-3-pyridazinyl]-1,4-diazepan-1-yl}-2-oxoethyl)-N-isobutyl-3-methoxybenzamid [German] [ACD/IUPAC Name]
N-(2-{4-[6-(3,4-Dimethoxyphenyl)-3-pyridazinyl]-1,4-diazepan-1-yl}-2-oxoethyl)-N-isobutyl-3-methoxybenzamide [ACD/IUPAC Name]
N-(2-{4-[6-(3,4-Diméthoxyphényl)-3-pyridazinyl]-1,4-diazépan-1-yl}-2-oxoéthyl)-N-isobutyl-3-méthoxybenzamide [French] [ACD/IUPAC Name]

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.2±0.1 g/cm3
Boiling Point: 792.0±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.8 mmHg at 25°C
Enthalpy of Vaporization: 115.2±3.0 kJ/mol
Flash Point: 432.8±32.9 °C
Index of Refraction: 1.573
Molar Refractivity: 156.5±0.3 cm3
#H bond acceptors: 10
#H bond donors: 0
#Freely Rotating Bonds: 10
#Rule of 5 Violations: 2
ACD/LogP: 3.07
ACD/LogD (pH 5.5): 2.99
ACD/BCF (pH 5.5): 93.51
ACD/KOC (pH 5.5): 734.91
ACD/LogD (pH 7.4): 3.29
ACD/BCF (pH 7.4): 185.48
ACD/KOC (pH 7.4): 1457.76
Polar Surface Area: 97 Å2
Polarizability: 62.0±0.5 10-24cm3
Surface Tension: 48.7±3.0 dyne/cm
Molar Volume: 475.1±3.0 cm3

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