ChemSpider 2D Image | 3-Benzoyl-5-heptyl-6-hydroxy-2-{[2-(4-morpholinyl)ethyl]sulfanyl}-4(3H)-pyrimidinone | C24H33N3O4S

3-Benzoyl-5-heptyl-6-hydroxy-2-{[2-(4-morpholinyl)ethyl]sulfanyl}-4(3H)-pyrimidinone

  • Molecular FormulaC24H33N3O4S
  • Average mass459.602 Da
  • Monoisotopic mass459.219177 Da
  • ChemSpider ID21514846

More details:

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

3-Benzoyl-5-heptyl-6-hydroxy-2-{[2-(4-morpholinyl)ethyl]sulfanyl}-4(3H)-pyrimidinon [German] [ACD/IUPAC Name]
3-Benzoyl-5-heptyl-6-hydroxy-2-{[2-(4-morpholinyl)ethyl]sulfanyl}-4(3H)-pyrimidinone [ACD/IUPAC Name]
3-Benzoyl-5-heptyl-6-hydroxy-2-{[2-(4-morpholinyl)éthyl]sulfanyl}-4(3H)-pyrimidinone [French] [ACD/IUPAC Name]
3-Benzoyl-5-heptyl-6-hydroxy-2-{[2-(morpholin-4-yl)ethyl]sulfanyl}pyrimidin-4(3H)-one
4(3H)-Pyrimidinone, 3-benzoyl-5-heptyl-6-hydroxy-2-[[2-(4-morpholinyl)ethyl]thio]- [ACD/Index Name]
3-Benzoyl-5-heptyl-6-hydroxy-2-(2-morpholin-4-yl-ethylsulfanyl)-3H-pyrimidin-4-one
3-benzoyl-5-heptyl-6-hydroxy-2-{[2-(morpholin-4-yl)ethyl]sulfanyl}-3,4-dihydropyrimidin-4-one
3-BENZOYL-5-HEPTYL-6-HYDROXY-2-{[2-(MORPHOLIN-4-YL)ETHYL]SULFANYL}PYRIMIDIN-4-ONE
5-heptyl-6-hydroxy-2-{[2-(morpholin-4-yl)ethyl]sulfanyl}-3-(phenylcarbonyl)pyrimidin-4(3H)-one

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

Density: 1.2±0.1 g/cm3
Boiling Point: 599.4±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.8 mmHg at 25°C
Enthalpy of Vaporization: 93.8±3.0 kJ/mol
Flash Point: 316.3±32.9 °C
Index of Refraction: 1.606
Molar Refractivity: 128.0±0.5 cm3
#H bond acceptors: 7
#H bond donors: 1
#Freely Rotating Bonds: 11
#Rule of 5 Violations: 0
ACD/LogP: 4.70
ACD/LogD (pH 5.5): 2.00
ACD/BCF (pH 5.5): 5.26
ACD/KOC (pH 5.5): 24.26
ACD/LogD (pH 7.4): 1.21
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 3.98
Polar Surface Area: 108 Å2
Polarizability: 50.8±0.5 10-24cm3
Surface Tension: 49.1±7.0 dyne/cm
Molar Volume: 371.4±7.0 cm3

Click to predict properties on the Chemicalize site


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