ChemSpider 2D Image | 1-[(5-Benzoyl-1,3-dibenzyl-2,6-dioxo-1,2,3,6-tetrahydro-4-pyrimidinyl)amino]-3-(4-morpholinyl)-2-propanyl benzoate | C39H38N4O6

1-[(5-Benzoyl-1,3-dibenzyl-2,6-dioxo-1,2,3,6-tetrahydro-4-pyrimidinyl)amino]-3-(4-morpholinyl)-2-propanyl benzoate

  • Molecular FormulaC39H38N4O6
  • Average mass658.742 Da
  • Monoisotopic mass658.279114 Da
  • ChemSpider ID9832311

More details:

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

1-[(5-Benzoyl-1,3-dibenzyl-2,6-dioxo-1,2,3,6-tetrahydro-4-pyrimidinyl)amino]-3-(4-morpholinyl)-2-propanyl benzoate [ACD/IUPAC Name]
1-[(5-Benzoyl-1,3-dibenzyl-2,6-dioxo-1,2,3,6-tetrahydro-4-pyrimidinyl)amino]-3-(4-morpholinyl)-2-propanyl-benzoat [German] [ACD/IUPAC Name]
2,4(1H,3H)-Pyrimidinedione, 5-benzoyl-6-[[2-(benzoyloxy)-3-(4-morpholinyl)propyl]amino]-1,3-bis(phenylmethyl)- [ACD/Index Name]
Benzoate de 1-[(5-benzoyl-1,3-dibenzyl-2,6-dioxo-1,2,3,6-tétrahydro-4-pyrimidinyl)amino]-3-(4-morpholinyl)-2-propanyle [French] [ACD/IUPAC 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: 801.5±75.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.8 mmHg at 25°C
Enthalpy of Vaporization: 116.5±3.0 kJ/mol
Flash Point: 438.5±37.1 °C
Index of Refraction: 1.675
Molar Refractivity: 184.9±0.4 cm3
#H bond acceptors: 10
#H bond donors: 1
#Freely Rotating Bonds: 14
#Rule of 5 Violations: 3
ACD/LogP: 7.16
ACD/LogD (pH 5.5): 4.90
ACD/BCF (pH 5.5): 2039.45
ACD/KOC (pH 5.5): 4887.22
ACD/LogD (pH 7.4): 5.66
ACD/BCF (pH 7.4): 11537.67
ACD/KOC (pH 7.4): 27648.15
Polar Surface Area: 108 Å2
Polarizability: 73.3±0.5 10-24cm3
Surface Tension: 68.0±5.0 dyne/cm
Molar Volume: 492.3±5.0 cm3

Click to predict properties on the Chemicalize site


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