ChemSpider 2D Image | Ethyl 4-{3-[(adamantan-1-ylcarbonyl)amino]phenyl}-1-butyl-2-oxo-6-phenyl-1,2,3,4-tetrahydro-5-pyrimidinecarboxylate | C34H41N3O4

Ethyl 4-{3-[(adamantan-1-ylcarbonyl)amino]phenyl}-1-butyl-2-oxo-6-phenyl-1,2,3,4-tetrahydro-5-pyrimidinecarboxylate

  • Molecular FormulaC34H41N3O4
  • Average mass555.707 Da
  • Monoisotopic mass555.309692 Da
  • ChemSpider ID22569299

More details:

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

4-{3-[(Adamantan-1-ylcarbonyl)amino]phényl}-1-butyl-2-oxo-6-phényl-1,2,3,4-tétrahydro-5-pyrimidinecarboxylate d'éthyle [French] [ACD/IUPAC Name]
5-Pyrimidinecarboxylic acid, 1-butyl-1,2,3,4-tetrahydro-2-oxo-6-phenyl-4-[3-[(tricyclo[3.3.1.13,7]dec-1-ylcarbonyl)amino]phenyl]-, ethyl ester [ACD/Index Name]
Ethyl 4-{3-[(adamantan-1-ylcarbonyl)amino]phenyl}-1-butyl-2-oxo-6-phenyl-1,2,3,4-tetrahydro-5-pyrimidinecarboxylate [ACD/IUPAC Name]
Ethyl-4-{3-[(adamantan-1-ylcarbonyl)amino]phenyl}-1-butyl-2-oxo-6-phenyl-1,2,3,4-tetrahydro-5-pyrimidincarboxylat [German] [ACD/IUPAC Name]

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

Density: 1.2±0.1 g/cm3
Boiling Point: 774.9±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.7 mmHg at 25°C
Enthalpy of Vaporization: 112.8±3.0 kJ/mol
Flash Point: 422.5±32.9 °C
Index of Refraction: 1.609
Molar Refractivity: 157.8±0.3 cm3
#H bond acceptors: 7
#H bond donors: 2
#Freely Rotating Bonds: 10
#Rule of 5 Violations: 2
ACD/LogP: 7.15
ACD/LogD (pH 5.5): 6.39
ACD/BCF (pH 5.5): 41934.13
ACD/KOC (pH 5.5): 70862.38
ACD/LogD (pH 7.4): 6.39
ACD/BCF (pH 7.4): 41923.31
ACD/KOC (pH 7.4): 70844.09
Polar Surface Area: 88 Å2
Polarizability: 62.5±0.5 10-24cm3
Surface Tension: 52.4±3.0 dyne/cm
Molar Volume: 455.8±3.0 cm3

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