ChemSpider 2D Image | Ethyl 6-{[4-(cyclobutylcarbonyl)-1,4-diazepan-1-yl]methyl}-4-(3,5-dimethoxyphenyl)-1-methyl-2-oxo-1,2,3,4-tetrahydro-5-pyrimidinecarboxylate | C27H38N4O6

Ethyl 6-{[4-(cyclobutylcarbonyl)-1,4-diazepan-1-yl]methyl}-4-(3,5-dimethoxyphenyl)-1-methyl-2-oxo-1,2,3,4-tetrahydro-5-pyrimidinecarboxylate

  • Molecular FormulaC27H38N4O6
  • Average mass514.614 Da
  • Monoisotopic mass514.279114 Da
  • ChemSpider ID29268353

More details:

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

5-Pyrimidinecarboxylic acid, 6-[[4-(cyclobutylcarbonyl)hexahydro-1H-1,4-diazepin-1-yl]methyl]-4-(3,5-dimethoxyphenyl)-1,2,3,4-tetrahydro-1-methyl-2-oxo-, ethyl ester [ACD/Index Name]
6-{[4-(Cyclobutylcarbonyl)-1,4-diazépan-1-yl]méthyl}-4-(3,5-diméthoxyphényl)-1-méthyl-2-oxo-1,2,3,4-tétrahydro-5-pyrimidinecarboxylate d'éthyle [French] [ACD/IUPAC Name]
Ethyl 6-{[4-(cyclobutylcarbonyl)-1,4-diazepan-1-yl]methyl}-4-(3,5-dimethoxyphenyl)-1-methyl-2-oxo-1,2,3,4-tetrahydro-5-pyrimidinecarboxylate [ACD/IUPAC Name]
Ethyl-6-{[4-(cyclobutylcarbonyl)-1,4-diazepan-1-yl]methyl}-4-(3,5-dimethoxyphenyl)-1-methyl-2-oxo-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: 715.5±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.3 mmHg at 25°C
Enthalpy of Vaporization: 104.6±3.0 kJ/mol
Flash Point: 386.5±32.9 °C
Index of Refraction: 1.560
Molar Refractivity: 137.1±0.3 cm3
#H bond acceptors: 10
#H bond donors: 1
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 2
ACD/LogP: 2.74
ACD/LogD (pH 5.5): -0.18
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.45
ACD/LogD (pH 7.4): 1.53
ACD/BCF (pH 7.4): 5.64
ACD/KOC (pH 7.4): 73.61
Polar Surface Area: 101 Å2
Polarizability: 54.3±0.5 10-24cm3
Surface Tension: 47.5±3.0 dyne/cm
Molar Volume: 423.8±3.0 cm3

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