ChemSpider 2D Image | Ethyl 1-allyl-6-{[4-(cyclobutylcarbonyl)-1-piperazinyl]methyl}-4-[4-(2-methyl-2-propanyl)phenyl]-2-oxo-1,2,3,4-tetrahydro-5-pyrimidinecarboxylate | C30H42N4O4

Ethyl 1-allyl-6-{[4-(cyclobutylcarbonyl)-1-piperazinyl]methyl}-4-[4-(2-methyl-2-propanyl)phenyl]-2-oxo-1,2,3,4-tetrahydro-5-pyrimidinecarboxylate

  • Molecular FormulaC30H42N4O4
  • Average mass522.679 Da
  • Monoisotopic mass522.320618 Da
  • ChemSpider ID29266104

More details:

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

1-Allyl-6-{[4-(cyclobutylcarbonyl)-1-pipérazinyl]méthyl}-4-[4-(2-méthyl-2-propanyl)phényl]-2-oxo-1,2,3,4-tétrahydro-5-pyrimidinecarboxylate d'éthyle [French] [ACD/IUPAC Name]
5-Pyrimidinecarboxylic acid, 6-[[4-(cyclobutylcarbonyl)-1-piperazinyl]methyl]-4-[4-(1,1-dimethylethyl)phenyl]-1,2,3,4-tetrahydro-2-oxo-1-(2-propen-1-yl)-, ethyl ester [ACD/Index Name]
Ethyl 1-allyl-6-{[4-(cyclobutylcarbonyl)-1-piperazinyl]methyl}-4-[4-(2-methyl-2-propanyl)phenyl]-2-oxo-1,2,3,4-tetrahydro-5-pyrimidinecarboxylate [ACD/IUPAC Name]
Ethyl-1-allyl-6-{[4-(cyclobutylcarbonyl)-1-piperazinyl]methyl}-4-[4-(2-methyl-2-propanyl)phenyl]-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: 699.5±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.2 mmHg at 25°C
Enthalpy of Vaporization: 102.4±3.0 kJ/mol
Flash Point: 376.8±31.5 °C
Index of Refraction: 1.559
Molar Refractivity: 146.5±0.3 cm3
#H bond acceptors: 8
#H bond donors: 1
#Freely Rotating Bonds: 10
#Rule of 5 Violations: 2
ACD/LogP: 5.28
ACD/LogD (pH 5.5): 3.24
ACD/BCF (pH 5.5): 90.26
ACD/KOC (pH 5.5): 413.30
ACD/LogD (pH 7.4): 4.32
ACD/BCF (pH 7.4): 1079.36
ACD/KOC (pH 7.4): 4942.22
Polar Surface Area: 82 Å2
Polarizability: 58.1±0.5 10-24cm3
Surface Tension: 45.6±3.0 dyne/cm
Molar Volume: 454.0±3.0 cm3

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