ChemSpider 2D Image | N-{3-[(6-Chloro-1,2,3,4-tetrahydro-9-acridinyl)amino]propyl}-5-[(3S)-1,2-dithiolan-3-yl]pentanamide | C24H32ClN3OS2

N-{3-[(6-Chloro-1,2,3,4-tetrahydro-9-acridinyl)amino]propyl}-5-[(3S)-1,2-dithiolan-3-yl]pentanamide

  • Molecular FormulaC24H32ClN3OS2
  • Average mass478.113 Da
  • Monoisotopic mass477.167542 Da
  • ChemSpider ID28486452
  • defined stereocentres - 1 of 1 defined stereocentres


More details:






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

1,2-Dithiolane-3-pentanamide, N-[3-[(6-chloro-1,2,3,4-tetrahydro-9-acridinyl)amino]propyl]-, (3S)- [ACD/Index Name]
N-{3-[(6-Chlor-1,2,3,4-tetrahydro-9-acridinyl)amino]propyl}-5-[(3S)-1,2-dithiolan-3-yl]pentanamid [German] [ACD/IUPAC Name]
N-{3-[(6-Chloro-1,2,3,4-tetrahydro-9-acridinyl)amino]propyl}-5-[(3S)-1,2-dithiolan-3-yl]pentanamide [ACD/IUPAC Name]
N-{3-[(6-Chloro-1,2,3,4-tétrahydro-9-acridinyl)amino]propyl}-5-[(3S)-1,2-dithiolan-3-yl]pentanamide [French] [ACD/IUPAC Name]

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

Density: 1.3±0.1 g/cm3
Boiling Point: 726.3±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.4 mmHg at 25°C
Enthalpy of Vaporization: 106.1±3.0 kJ/mol
Flash Point: 393.1±32.9 °C
Index of Refraction: 1.644
Molar Refractivity: 137.7±0.3 cm3
#H bond acceptors: 4
#H bond donors: 2
#Freely Rotating Bonds: 10
#Rule of 5 Violations: 1
ACD/LogP: 5.91
ACD/LogD (pH 5.5): 4.28
ACD/BCF (pH 5.5): 407.98
ACD/KOC (pH 5.5): 842.81
ACD/LogD (pH 7.4): 5.74
ACD/BCF (pH 7.4): 11879.99
ACD/KOC (pH 7.4): 24541.80
Polar Surface Area: 105 Å2
Polarizability: 54.6±0.5 10-24cm3
Surface Tension: 56.3±3.0 dyne/cm
Molar Volume: 380.2±3.0 cm3

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