ChemSpider 2D Image | 9-(4-Chlorophenyl)-5-{[3-(4-morpholinyl)propyl]amino}-8H-thieno[2',3':4,5]pyrimido[2,1-a]phthalazin-8-one | C26H24ClN5O2S

9-(4-Chlorophenyl)-5-{[3-(4-morpholinyl)propyl]amino}-8H-thieno[2',3':4,5]pyrimido[2,1-a]phthalazin-8-one

  • Molecular FormulaC26H24ClN5O2S
  • Average mass506.019 Da
  • Monoisotopic mass505.133911 Da
  • ChemSpider ID3064367

More details:

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

8H-Thieno[2',3':4,5]pyrimido[2,1-a]phthalazin-8-one, 9-(4-chlorophenyl)-5-[[3-(4-morpholinyl)propyl]amino]- [ACD/Index Name]
9-(4-Chlorophényl)-5-{[3-(4-morpholinyl)propyl]amino}-8H-thiéno[2',3':4,5]pyrimido[2,1-a]phtalazin-8-one [French] [ACD/IUPAC Name]
9-(4-Chlorophenyl)-5-{[3-(4-morpholinyl)propyl]amino}-8H-thieno[2',3':4,5]pyrimido[2,1-a]phthalazin-8-one [ACD/IUPAC Name]
9-(4-Chlorophenyl)-5-{[3-(morpholin-4-yl)propyl]amino}-8H-thieno[2',3':4,5]pyrimido[2,1-a]phthalazin-8-one
9-(4-Chlorphenyl)-5-{[3-(4-morpholinyl)propyl]amino}-8H-thieno[2',3':4,5]pyrimido[2,1-a]phthalazin-8-on [German] [ACD/IUPAC Name]
9-(4-chlorophenyl)-5-[(3-morpholin-4-ylpropyl)amino]-7-hydrophthalazino[2,1-a]thiopheno[2,3-d]pyrimidin-8-one

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

Density: 1.5±0.1 g/cm3
Boiling Point: 695.8±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.2 mmHg at 25°C
Enthalpy of Vaporization: 101.9±3.0 kJ/mol
Flash Point: 374.6±34.3 °C
Index of Refraction: 1.744
Molar Refractivity: 138.8±0.5 cm3
#H bond acceptors: 7
#H bond donors: 1
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 1
ACD/LogP: 3.89
ACD/LogD (pH 5.5): 2.31
ACD/BCF (pH 5.5): 12.85
ACD/KOC (pH 5.5): 69.97
ACD/LogD (pH 7.4): 3.81
ACD/BCF (pH 7.4): 405.41
ACD/KOC (pH 7.4): 2207.81
Polar Surface Area: 98 Å2
Polarizability: 55.0±0.5 10-24cm3
Surface Tension: 61.5±7.0 dyne/cm
Molar Volume: 342.9±7.0 cm3

Click to predict properties on the Chemicalize site


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