ChemSpider 2D Image | 2-Methoxyethyl 6-methyl-4-[4-(nonanoylamino)phenyl]-2-oxo-1-propyl-1,2,3,4-tetrahydro-5-pyrimidinecarboxylate | C27H41N3O5

2-Methoxyethyl 6-methyl-4-[4-(nonanoylamino)phenyl]-2-oxo-1-propyl-1,2,3,4-tetrahydro-5-pyrimidinecarboxylate

  • Molecular FormulaC27H41N3O5
  • Average mass487.632 Da
  • Monoisotopic mass487.304626 Da
  • ChemSpider ID22569753

More details:

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

2-Methoxyethyl 6-methyl-4-[4-(nonanoylamino)phenyl]-2-oxo-1-propyl-1,2,3,4-tetrahydro-5-pyrimidinecarboxylate [ACD/IUPAC Name]
2-Methoxyethyl-6-methyl-4-[4-(nonanoylamino)phenyl]-2-oxo-1-propyl-1,2,3,4-tetrahydro-5-pyrimidincarboxylat [German] [ACD/IUPAC Name]
5-Pyrimidinecarboxylic acid, 1,2,3,4-tetrahydro-6-methyl-2-oxo-4-[4-[(1-oxononyl)amino]phenyl]-1-propyl-, 2-methoxyethyl ester [ACD/Index Name]
6-Méthyl-4-[4-(nonanoylamino)phényl]-2-oxo-1-propyl-1,2,3,4-tétrahydro-5-pyrimidinecarboxylate de 2-méthoxyéthyle [French] [ACD/IUPAC 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: 684.9±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.1 mmHg at 25°C
Enthalpy of Vaporization: 100.4±3.0 kJ/mol
Flash Point: 368.0±31.5 °C
Index of Refraction: 1.530
Molar Refractivity: 136.9±0.3 cm3
#H bond acceptors: 8
#H bond donors: 2
#Freely Rotating Bonds: 16
#Rule of 5 Violations: 0
ACD/LogP: 4.89
ACD/LogD (pH 5.5): 5.10
ACD/BCF (pH 5.5): 4421.93
ACD/KOC (pH 5.5): 14161.87
ACD/LogD (pH 7.4): 5.10
ACD/BCF (pH 7.4): 4421.54
ACD/KOC (pH 7.4): 14160.66
Polar Surface Area: 97 Å2
Polarizability: 54.3±0.5 10-24cm3
Surface Tension: 42.4±3.0 dyne/cm
Molar Volume: 443.2±3.0 cm3

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