ChemSpider 2D Image | Ethyl 4-[2-(4-ethoxyphenyl)-6-{4-[3-(1-pyrrolidinyl)propanoyl]-1-piperazinyl}-4-pyrimidinyl]-1-piperazinecarboxylate | C30H43N7O4

Ethyl 4-[2-(4-ethoxyphenyl)-6-{4-[3-(1-pyrrolidinyl)propanoyl]-1-piperazinyl}-4-pyrimidinyl]-1-piperazinecarboxylate

  • Molecular FormulaC30H43N7O4
  • Average mass565.707 Da
  • Monoisotopic mass565.337646 Da
  • ChemSpider ID121995457

More details:

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

1-Piperazinecarboxylic acid, 4-[2-(4-ethoxyphenyl)-6-[4-[1-oxo-3-(1-pyrrolidinyl)propyl]-1-piperazinyl]-4-pyrimidinyl]-, ethyl ester [ACD/Index Name]
4-[2-(4-Éthoxyphényl)-6-{4-[3-(1-pyrrolidinyl)propanoyl]-1-pipérazinyl}-4-pyrimidinyl]-1-pipérazinecarboxylate d'éthyle [French] [ACD/IUPAC Name]
Ethyl 4-[2-(4-ethoxyphenyl)-6-{4-[3-(1-pyrrolidinyl)propanoyl]-1-piperazinyl}-4-pyrimidinyl]-1-piperazinecarboxylate [ACD/IUPAC Name]
Ethyl-4-[2-(4-ethoxyphenyl)-6-{4-[3-(1-pyrrolidinyl)propanoyl]-1-piperazinyl}-4-pyrimidinyl]-1-piperazincarboxylat [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: 704.1±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.2 mmHg at 25°C
Enthalpy of Vaporization: 103.0±3.0 kJ/mol
Flash Point: 379.6±32.9 °C
Index of Refraction: 1.581
Molar Refractivity: 155.3±0.3 cm3
#H bond acceptors: 11
#H bond donors: 0
#Freely Rotating Bonds: 10
#Rule of 5 Violations: 2
ACD/LogP: 2.02
ACD/LogD (pH 5.5): -1.18
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -1.13
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 95 Å2
Polarizability: 61.6±0.5 10-24cm3
Surface Tension: 53.2±3.0 dyne/cm
Molar Volume: 466.0±3.0 cm3

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