ChemSpider 2D Image | N-(2-{4-[6-(4-Methoxyphenyl)-3-pyridazinyl]-1,4-diazepan-1-yl}-2-oxoethyl)-4-methyl-N-(3-methylbutyl)benzenesulfonamide | C30H39N5O4S

N-(2-{4-[6-(4-Methoxyphenyl)-3-pyridazinyl]-1,4-diazepan-1-yl}-2-oxoethyl)-4-methyl-N-(3-methylbutyl)benzenesulfonamide

  • Molecular FormulaC30H39N5O4S
  • Average mass565.727 Da
  • Monoisotopic mass565.272278 Da
  • ChemSpider ID22678020

More details:

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

Benzenesulfonamide, N-[2-[hexahydro-4-[6-(4-methoxyphenyl)-3-pyridazinyl]-1H-1,4-diazepin-1-yl]-2-oxoethyl]-4-methyl-N-(3-methylbutyl)- [ACD/Index Name]
N-(2-{4-[6-(4-Methoxyphenyl)-3-pyridazinyl]-1,4-diazepan-1-yl}-2-oxoethyl)-4-methyl-N-(3-methylbutyl)benzenesulfonamide [ACD/IUPAC Name]
N-(2-{4-[6-(4-Méthoxyphényl)-3-pyridazinyl]-1,4-diazépan-1-yl}-2-oxoéthyl)-4-méthyl-N-(3-méthylbutyl)benzènesulfonamide [French] [ACD/IUPAC Name]
N-(2-{4-[6-(4-Methoxyphenyl)-3-pyridazinyl]-1,4-diazepan-1-yl}-2-oxoethyl)-4-methyl-N-(3-methylbutyl)benzolsulfonamid [German] [ACD/IUPAC Name]

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

Density: 1.2±0.1 g/cm3
Boiling Point: 779.8±70.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.7 mmHg at 25°C
Enthalpy of Vaporization: 113.5±3.0 kJ/mol
Flash Point: 425.4±35.7 °C
Index of Refraction: 1.582
Molar Refractivity: 156.8±0.4 cm3
#H bond acceptors: 9
#H bond donors: 0
#Freely Rotating Bonds: 10
#Rule of 5 Violations: 2
ACD/LogP: 5.07
ACD/LogD (pH 5.5): 4.25
ACD/BCF (pH 5.5): 783.74
ACD/KOC (pH 5.5): 3093.42
ACD/LogD (pH 7.4): 4.67
ACD/BCF (pH 7.4): 2074.98
ACD/KOC (pH 7.4): 8189.94
Polar Surface Area: 104 Å2
Polarizability: 62.2±0.5 10-24cm3
Surface Tension: 50.1±3.0 dyne/cm
Molar Volume: 470.1±3.0 cm3

Click to predict properties on the Chemicalize site


Advertisement