ChemSpider 2D Image | Ethyl 8-cyano-1-(2-cyanobenzyl)-7-(4-methoxyphenyl)-6-({methyl[2-(2-pyridinyl)ethyl]amino}methyl)-4-oxo-1,4-dihydropyrrolo[1,2-a]pyrimidine-3-carboxylate | C35H32N6O4

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

  • Molecular FormulaC35H32N6O4
  • Average mass600.666 Da
  • Monoisotopic mass600.248474 Da
  • ChemSpider ID23209486

More details:

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

8-Cyano-1-(2-cyanobenzyl)-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 8-cyano-1-(2-cyanobenzyl)-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 8-cyano-1-(2-cyanobenzyl)-7-(4-methoxyphenyl)-6-({methyl[2-(pyridin-2-yl)ethyl]amino}methyl)-4-oxo-1,4-dihydropyrrolo[1,2-a]pyrimidine-3-carboxylate
Ethyl-8-cyan-1-(2-cyanbenzyl)-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, 8-cyano-1-[(2-cyanophenyl)methyl]-1,4-dihydro-7-(4-methoxyphenyl)-6-[[methyl[2-(2-pyridinyl)ethyl]amino]methyl]-4-oxo-, ethyl ester [ACD/Index Name]
8-Cyano-1-(2-cyano-benzyl)-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
CHEMBL337433
https://www.ebi.ac.uk/chembl/compoundreportcard/CHEMBL337433/

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

Density: 1.2±0.1 g/cm3
Boiling Point: 727.1±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.4 mmHg at 25°C
Enthalpy of Vaporization: 106.2±3.0 kJ/mol
Flash Point: 393.6±32.9 °C
Index of Refraction: 1.631
Molar Refractivity: 173.8±0.5 cm3
#H bond acceptors: 10
#H bond donors: 0
#Freely Rotating Bonds: 14
#Rule of 5 Violations: 2
ACD/LogP: 3.01
ACD/LogD (pH 5.5): 1.91
ACD/BCF (pH 5.5): 5.94
ACD/KOC (pH 5.5): 36.35
ACD/LogD (pH 7.4): 3.50
ACD/BCF (pH 7.4): 229.29
ACD/KOC (pH 7.4): 1403.46
Polar Surface Area: 124 Å2
Polarizability: 68.9±0.5 10-24cm3
Surface Tension: 49.7±7.0 dyne/cm
Molar Volume: 487.8±7.0 cm3

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