ChemSpider 2D Image | Ethyl 4-[4-({1-[(4-oxo-4H-pyrido[1,2-a]pyrimidin-3-yl)carbonyl]-3-piperidinyl}methoxy)benzyl]-1-piperazinecarboxylate | C29H35N5O5

Ethyl 4-[4-({1-[(4-oxo-4H-pyrido[1,2-a]pyrimidin-3-yl)carbonyl]-3-piperidinyl}methoxy)benzyl]-1-piperazinecarboxylate

  • Molecular FormulaC29H35N5O5
  • Average mass533.619 Da
  • Monoisotopic mass533.263794 Da
  • ChemSpider ID22167954

More details:

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

1-Piperazinecarboxylic acid, 4-[[4-[[1-[(4-oxo-4H-pyrido[1,2-a]pyrimidin-3-yl)carbonyl]-3-piperidinyl]methoxy]phenyl]methyl]-, ethyl ester [ACD/Index Name]
4-[4-({1-[(4-Oxo-4H-pyrido[1,2-a]pyrimidin-3-yl)carbonyl]-3-pipéridinyl}méthoxy)benzyl]-1-pipérazinecarboxylate d'éthyle [French] [ACD/IUPAC Name]
Ethyl 4-[4-({1-[(4-oxo-4H-pyrido[1,2-a]pyrimidin-3-yl)carbonyl]-3-piperidinyl}methoxy)benzyl]-1-piperazinecarboxylate [ACD/IUPAC Name]
Ethyl-4-[4-({1-[(4-oxo-4H-pyrido[1,2-a]pyrimidin-3-yl)carbonyl]-3-piperidinyl}methoxy)benzyl]-1-piperazincarboxylat [German] [ACD/IUPAC Name]

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

Density: 1.3±0.1 g/cm3
Boiling Point: 708.8±70.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.3 mmHg at 25°C
Enthalpy of Vaporization: 103.7±3.0 kJ/mol
Flash Point: 382.4±35.7 °C
Index of Refraction: 1.643
Molar Refractivity: 147.5±0.5 cm3
#H bond acceptors: 10
#H bond donors: 0
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 2
ACD/LogP: 1.40
ACD/LogD (pH 5.5): 0.44
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 14.35
ACD/LogD (pH 7.4): 1.40
ACD/BCF (pH 7.4): 6.66
ACD/KOC (pH 7.4): 131.09
Polar Surface Area: 95 Å2
Polarizability: 58.5±0.5 10-24cm3
Surface Tension: 53.7±7.0 dyne/cm
Molar Volume: 408.0±7.0 cm3

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