ChemSpider 2D Image | 2-Methoxyethyl 4-[4-(dodecanoylamino)phenyl]-1,6-dimethyl-2-thioxo-1,2,3,4-tetrahydro-5-pyrimidinecarboxylate | C28H43N3O4S

2-Methoxyethyl 4-[4-(dodecanoylamino)phenyl]-1,6-dimethyl-2-thioxo-1,2,3,4-tetrahydro-5-pyrimidinecarboxylate

  • Molecular FormulaC28H43N3O4S
  • Average mass517.724 Da
  • Monoisotopic mass517.297424 Da
  • ChemSpider ID2749043

More details:

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

2-Methoxyethyl 4-[4-(dodecanoylamino)phenyl]-1,6-dimethyl-2-thioxo-1,2,3,4-tetrahydro-5-pyrimidinecarboxylate [ACD/IUPAC Name]
2-Methoxyethyl-4-[4-(dodecanoylamino)phenyl]-1,6-dimethyl-2-thioxo-1,2,3,4-tetrahydro-5-pyrimidincarboxylat [German] [ACD/IUPAC Name]
4-[4-(Dodecanoylamino)phényl]-1,6-diméthyl-2-thioxo-1,2,3,4-tétrahydro-5-pyrimidinecarboxylate de 2-méthoxyéthyle [French] [ACD/IUPAC Name]
5-Pyrimidinecarboxylic acid, 1,2,3,4-tetrahydro-1,6-dimethyl-4-[4-[(1-oxododecyl)amino]phenyl]-2-thioxo-, 2-methoxyethyl ester [ACD/Index Name]

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

Density: 1.1±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.564
Molar Refractivity: 148.0±0.4 cm3
#H bond acceptors: 7
#H bond donors: 2
#Freely Rotating Bonds: 17
#Rule of 5 Violations: 2
ACD/LogP: 6.02
ACD/LogD (pH 5.5): 6.40
ACD/BCF (pH 5.5): 43195.54
ACD/KOC (pH 5.5): 72381.84
ACD/LogD (pH 7.4): 6.40
ACD/BCF (pH 7.4): 43194.55
ACD/KOC (pH 7.4): 72380.17
Polar Surface Area: 112 Å2
Polarizability: 58.7±0.5 10-24cm3
Surface Tension: 50.4±5.0 dyne/cm
Molar Volume: 455.1±5.0 cm3

Click to predict properties on the Chemicalize site


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