Found 76 results

Search term: MF = 'C_{38}H_{41}N_{5}O_{5}'
ChemSpider 2D Image | Ethyl 8-cyano-7-(4-isobutoxyphenyl)-1-(2-methoxybenzyl)-6-({methyl[2-(2-pyridinyl)ethyl]amino}methyl)-4-oxo-1,4-dihydropyrrolo[1,2-a]pyrimidine-3-carboxylate | C38H41N5O5

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

  • Molecular FormulaC38H41N5O5
  • Average mass647.763 Da
  • Monoisotopic mass647.310791 Da
  • ChemSpider ID23209248

More details:

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

8-Cyano-7-(4-isobutoxyphényl)-1-(2-méthoxybenzyl)-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-methoxybenzyl)-7-[4-(2-methylpropoxy)phenyl]-6-({methyl[2-(pyridin-2-yl)ethyl]amino}methyl)-4-oxo-1,4-dihydropyrrolo[1,2-a]pyrimidine-3-carboxylate
Ethyl 8-cyano-7-(4-isobutoxyphenyl)-1-(2-methoxybenzyl)-6-({methyl[2-(2-pyridinyl)ethyl]amino}methyl)-4-oxo-1,4-dihydropyrrolo[1,2-a]pyrimidine-3-carboxylate [ACD/IUPAC Name]
Ethyl-8-cyan-7-(4-isobutoxyphenyl)-1-(2-methoxybenzyl)-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-1,4-dihydro-1-[(2-methoxyphenyl)methyl]-7-[4-(2-methylpropoxy)phenyl]-6-[[methyl[2-(2-pyridinyl)ethyl]amino]methyl]-4-oxo-, ethyl ester [ACD/Index Name]
8-Cyano-7-(4-isobutoxy-phenyl)-1-(2-methoxy-benzyl)-6-{[methyl-(2-pyridin-2-yl-ethyl)-amino]-methyl}-4-oxo-1,4-dihydro-pyrrolo[1,2-a]pyrimidine-3-carboxylic acid ethyl ester
CHEMBL341124
https://www.ebi.ac.uk/chembl/compoundreportcard/CHEMBL341124/

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

Density: 1.2±0.1 g/cm3
Boiling Point: 730.4±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.4 mmHg at 25°C
Enthalpy of Vaporization: 106.6±3.0 kJ/mol
Flash Point: 395.5±32.9 °C
Index of Refraction: 1.603
Molar Refractivity: 186.7±0.5 cm3
#H bond acceptors: 10
#H bond donors: 0
#Freely Rotating Bonds: 16
#Rule of 5 Violations: 2
ACD/LogP: 4.90
ACD/LogD (pH 5.5): 3.67
ACD/BCF (pH 5.5): 129.71
ACD/KOC (pH 5.5): 331.76
ACD/LogD (pH 7.4): 5.26
ACD/BCF (pH 7.4): 4975.90
ACD/KOC (pH 7.4): 12726.70
Polar Surface Area: 110 Å2
Polarizability: 74.0±0.5 10-24cm3
Surface Tension: 44.9±7.0 dyne/cm
Molar Volume: 543.9±7.0 cm3

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