ChemSpider 2D Image | 2-(6-Amino-1,3-dimethyl-2,4-dioxo-1,2,3,4-tetrahydro-5-pyrimidinyl)-2-oxoethyl (4E)-4-[4-(2-methyl-2-propanyl)benzylidene]-1,2,3,4-tetrahydro-9-acridinecarboxylate | C33H34N4O5

2-(6-Amino-1,3-dimethyl-2,4-dioxo-1,2,3,4-tetrahydro-5-pyrimidinyl)-2-oxoethyl (4E)-4-[4-(2-methyl-2-propanyl)benzylidene]-1,2,3,4-tetrahydro-9-acridinecarboxylate

  • Molecular FormulaC33H34N4O5
  • Average mass566.647 Da
  • Monoisotopic mass566.252930 Da
  • ChemSpider ID5012106

  • Double-bond stereo - Double-bond stereo

More details:

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

(4E)-4-[4-(2-Méthyl-2-propanyl)benzylidène]-1,2,3,4-tétrahydro-9-acridinecarboxylate de 2-(6-amino-1,3-diméthyl-2,4-dioxo-1,2,3,4-tétrahydro-5-pyrimidinyl)-2-oxoéthyle [French] [ACD/IUPAC Name]
2-(6-Amino-1,3-dimethyl-2,4-dioxo-1,2,3,4-tetrahydro-5-pyrimidinyl)-2-oxoethyl (4E)-4-[4-(2-methyl-2-propanyl)benzylidene]-1,2,3,4-tetrahydro-9-acridinecarboxylate [ACD/IUPAC Name]
2-(6-Amino-1,3-dimethyl-2,4-dioxo-1,2,3,4-tetrahydro-5-pyrimidinyl)-2-oxoethyl-(4E)-4-[4-(2-methyl-2-propanyl)benzyliden]-1,2,3,4-tetrahydro-9-acridincarboxylat [German] [ACD/IUPAC Name]
9-Acridinecarboxylic acid, 4-[[4-(1,1-dimethylethyl)phenyl]methylene]-1,2,3,4-tetrahydro-, 2-(6-amino-1,2,3,4-tetrahydro-1,3-dimethyl-2,4-dioxo-5-pyrimidinyl)-2-oxoethyl ester, (4E)- [ACD/Index Name]

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

Density: 1.3±0.1 g/cm3
Boiling Point: 737.0±70.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.4 mmHg at 25°C
Enthalpy of Vaporization: 107.5±3.0 kJ/mol
Flash Point: 399.6±35.7 °C
Index of Refraction: 1.650
Molar Refractivity: 160.7±0.3 cm3
#H bond acceptors: 9
#H bond donors: 2
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 2
ACD/LogP: 7.87
ACD/LogD (pH 5.5): 5.81
ACD/BCF (pH 5.5): 15418.40
ACD/KOC (pH 5.5): 34615.45
ACD/LogD (pH 7.4): 5.81
ACD/BCF (pH 7.4): 15432.73
ACD/KOC (pH 7.4): 34647.61
Polar Surface Area: 123 Å2
Polarizability: 63.7±0.5 10-24cm3
Surface Tension: 58.5±3.0 dyne/cm
Molar Volume: 440.6±3.0 cm3

Click to predict properties on the Chemicalize site


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