ChemSpider 2D Image | Ethyl 1-allyl-6-({3-methyl-4-[(2-methyl-2-propanyl)carbamoyl]-1-piperazinyl}methyl)-2-oxo-4-(3-phenoxyphenyl)-1,2,3,4-tetrahydro-5-pyrimidinecarboxylate | C33H43N5O5

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

  • Molecular FormulaC33H43N5O5
  • Average mass589.725 Da
  • Monoisotopic mass589.326416 Da
  • ChemSpider ID22687186

More details:

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

1-Allyl-6-({3-méthyl-4-[(2-méthyl-2-propanyl)carbamoyl]-1-pipérazinyl}méthyl)-2-oxo-4-(3-phénoxyphényl)-1,2,3,4-tétrahydro-5-pyrimidinecarboxylate d'éthyle [French] [ACD/IUPAC Name]
5-Pyrimidinecarboxylic acid, 6-[[4-[[(1,1-dimethylethyl)amino]carbonyl]-3-methyl-1-piperazinyl]methyl]-1,2,3,4-tetrahydro-2-oxo-4-(3-phenoxyphenyl)-1-(2-propen-1-yl)-, ethyl ester [ACD/Index Name]
Ethyl 1-allyl-6-({3-methyl-4-[(2-methyl-2-propanyl)carbamoyl]-1-piperazinyl}methyl)-2-oxo-4-(3-phenoxyphenyl)-1,2,3,4-tetrahydro-5-pyrimidinecarboxylate [ACD/IUPAC Name]
Ethyl-1-allyl-6-({3-methyl-4-[(2-methyl-2-propanyl)carbamoyl]-1-piperazinyl}methyl)-2-oxo-4-(3-phenoxyphenyl)-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: 765.5±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.6 mmHg at 25°C
Enthalpy of Vaporization: 111.5±3.0 kJ/mol
Flash Point: 416.8±32.9 °C
Index of Refraction: 1.561
Molar Refractivity: 164.9±0.3 cm3
#H bond acceptors: 10
#H bond donors: 2
#Freely Rotating Bonds: 11
#Rule of 5 Violations: 3
ACD/LogP: 6.44
ACD/LogD (pH 5.5): 2.78
ACD/BCF (pH 5.5): 29.02
ACD/KOC (pH 5.5): 124.00
ACD/LogD (pH 7.4): 4.29
ACD/BCF (pH 7.4): 935.54
ACD/KOC (pH 7.4): 3996.95
Polar Surface Area: 103 Å2
Polarizability: 65.4±0.5 10-24cm3
Surface Tension: 44.0±3.0 dyne/cm
Molar Volume: 509.2±3.0 cm3

Click to predict properties on the Chemicalize site


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