ChemSpider 2D Image | 5-Methoxy-1-methylene-4,7-bis(phenylsulfonyl)-2,3,4,7,8,9,10,11-octahydro-1H-azepino[3,2-f]quinolin-11-yl acetate | C29H30N2O7S2

5-Methoxy-1-methylene-4,7-bis(phenylsulfonyl)-2,3,4,7,8,9,10,11-octahydro-1H-azepino[3,2-f]quinolin-11-yl acetate

  • Molecular FormulaC29H30N2O7S2
  • Average mass582.688 Da
  • Monoisotopic mass582.149414 Da
  • ChemSpider ID9149127

More details:

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

1H-Azepino[3,2-f]quinolin-11-ol, 2,3,4,7,8,9,10,11-octahydro-5-methoxy-1-methylene-4,7-bis(phenylsulfonyl)-, acetate (ester) [ACD/Index Name]
5-Methoxy-1-methylen-4,7-bis(phenylsulfonyl)-2,3,4,7,8,9,10,11-octahydro-1H-azepino[3,2-f]chinolin-11-yl-acetat [German] [ACD/IUPAC Name]
5-Methoxy-1-methylene-4,7-bis(phenylsulfonyl)-2,3,4,7,8,9,10,11-octahydro-1H-azepino[3,2-f]quinolin-11-yl acetate [ACD/IUPAC Name]
Acétate de 5-méthoxy-1-méthylène-4,7-bis(phénylsulfonyl)-2,3,4,7,8,9,10,11-octahydro-1H-azépino[3,2-f]quinoléin-11-yle [French] [ACD/IUPAC Name]

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

Density: 1.4±0.1 g/cm3
Boiling Point: 759.6±70.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.6 mmHg at 25°C
Enthalpy of Vaporization: 110.7±3.0 kJ/mol
Flash Point: 413.2±35.7 °C
Index of Refraction: 1.673
Molar Refractivity: 151.5±0.4 cm3
#H bond acceptors: 9
#H bond donors: 0
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 1
ACD/LogP: 2.79
ACD/LogD (pH 5.5): 4.12
ACD/BCF (pH 5.5): 800.57
ACD/KOC (pH 5.5): 4167.29
ACD/LogD (pH 7.4): 4.12
ACD/BCF (pH 7.4): 800.57
ACD/KOC (pH 7.4): 4167.29
Polar Surface Area: 127 Å2
Polarizability: 60.1±0.5 10-24cm3
Surface Tension: 69.6±5.0 dyne/cm
Molar Volume: 404.1±5.0 cm3

Click to predict properties on the Chemicalize site


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