ChemSpider 2D Image | Ethyl 1-(2-chlorobenzyl)-8-cyano-7-(4-methoxyphenyl)-6-({methyl[2-(2-pyridinyl)ethyl]amino}methyl)-4-oxo-1,4-dihydropyrrolo[1,2-a]pyrimidine-3-carboxylate | C34H32ClN5O4

Ethyl 1-(2-chlorobenzyl)-8-cyano-7-(4-methoxyphenyl)-6-({methyl[2-(2-pyridinyl)ethyl]amino}methyl)-4-oxo-1,4-dihydropyrrolo[1,2-a]pyrimidine-3-carboxylate

  • Molecular FormulaC34H32ClN5O4
  • Average mass610.102 Da
  • Monoisotopic mass609.214294 Da
  • ChemSpider ID23209471

More details:

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

1-(2-Chlorobenzyl)-8-cyano-7-(4-méthoxyphényl)-6-({méthyl[2-(2-pyridinyl)éthyl]amino}méthyl)-4-oxo-1,4-dihydropyrrolo[1,2-a]pyrimidine-3-carboxylate d'éthyle [French] [ACD/IUPAC Name]
Ethyl 1-(2-chlorobenzyl)-8-cyano-7-(4-methoxyphenyl)-6-({methyl[2-(2-pyridinyl)ethyl]amino}methyl)-4-oxo-1,4-dihydropyrrolo[1,2-a]pyrimidine-3-carboxylate [ACD/IUPAC Name]
ethyl 1-(2-chlorobenzyl)-8-cyano-7-(4-methoxyphenyl)-6-({methyl[2-(pyridin-2-yl)ethyl]amino}methyl)-4-oxo-1,4-dihydropyrrolo[1,2-a]pyrimidine-3-carboxylate
Ethyl-1-(2-chlorbenzyl)-8-cyan-7-(4-methoxyphenyl)-6-({methyl[2-(2-pyridinyl)ethyl]amino}methyl)-4-oxo-1,4-dihydropyrrolo[1,2-a]pyrimidin-3-carboxylat [German] [ACD/IUPAC Name]
Pyrrolo[1,2-a]pyrimidine-3-carboxylic acid, 1-[(2-chlorophenyl)methyl]-8-cyano-1,4-dihydro-7-(4-methoxyphenyl)-6-[[methyl[2-(2-pyridinyl)ethyl]amino]methyl]-4-oxo-, ethyl ester [ACD/Index Name]
1-(2-Chloro-benzyl)-8-cyano-7-(4-methoxy-phenyl)-6-{[methyl-(2-pyridin-2-yl-ethyl)-amino]-methyl}-4-oxo-1,4-dihydro-pyrrolo[1,2-a]pyrimidine-3-carboxylic acid ethyl ester
CHEMBL132661

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

Density: 1.3±0.1 g/cm3
Boiling Point: 708.6±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.3 mmHg at 25°C
Enthalpy of Vaporization: 103.6±3.0 kJ/mol
Flash Point: 382.4±32.9 °C
Index of Refraction: 1.628
Molar Refractivity: 171.9±0.5 cm3
#H bond acceptors: 9
#H bond donors: 0
#Freely Rotating Bonds: 13
#Rule of 5 Violations: 1
ACD/LogP: 4.17
ACD/LogD (pH 5.5): 2.99
ACD/BCF (pH 5.5): 38.96
ACD/KOC (pH 5.5): 139.72
ACD/LogD (pH 7.4): 4.58
ACD/BCF (pH 7.4): 1504.00
ACD/KOC (pH 7.4): 5393.84
Polar Surface Area: 101 Å2
Polarizability: 68.1±0.5 10-24cm3
Surface Tension: 48.5±7.0 dyne/cm
Molar Volume: 484.4±7.0 cm3

Click to predict properties on the Chemicalize site


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