ChemSpider 2D Image | 3,6-Bis[3-(Azepan-1-Yl)propionamido]acridine | C31H41N5O2

3,6-Bis[3-(Azepan-1-Yl)propionamido]acridine

  • Molecular FormulaC31H41N5O2
  • Average mass515.690 Da
  • Monoisotopic mass515.326050 Da
  • ChemSpider ID8611991

More details:

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

1H-Azepine-1-propanamide, N,N'-3,6-acridinediylbis[hexahydro- [ACD/Index Name]
3,6-Bis[3-(Azepan-1-Yl)propionamido]acridine
N,N'-3,6-Acridindiylbis[3-(1-azepanyl)propanamid] [German] [ACD/IUPAC Name]
N,N'-3,6-Acridinediylbis[3-(1-azepanyl)propanamide] [ACD/IUPAC Name]
N,N'-3,6-Acridinediylbis[3-(1-azépanyl)propanamide] [French] [ACD/IUPAC Name]
N,N'-acridine-3,6-diylbis[3-(azepan-1-yl)propanamide]
3-Azepan-1-yl-N-[6-(3-azepan-1-yl-propionylamino)-acridin-3-yl]-propionamide
CHEMBL82008

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

Density: 1.2±0.1 g/cm3
Boiling Point: 799.8±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.8 mmHg at 25°C
Enthalpy of Vaporization: 116.3±3.0 kJ/mol
Flash Point: 437.5±30.1 °C
Index of Refraction: 1.642
Molar Refractivity: 156.3±0.3 cm3
#H bond acceptors: 7
#H bond donors: 2
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 2
ACD/LogP: 6.05
ACD/LogD (pH 5.5): -0.18
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): 1.80
ACD/BCF (pH 7.4): 2.52
ACD/KOC (pH 7.4): 9.13
Polar Surface Area: 78 Å2
Polarizability: 62.0±0.5 10-24cm3
Surface Tension: 57.1±3.0 dyne/cm
Molar Volume: 432.6±3.0 cm3

Click to predict properties on the Chemicalize site


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