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Search term: VQRMZKAGLCJQTF (Found by InChIKey (skeleton match))
ChemSpider 2D Image | Methyl 4-{3-allyl-4-[(2-cyanobenzyl)oxy]-5-ethoxyphenyl}-2-methyl-5-oxo-4,5-dihydro-1H-indeno[1,2-b]pyridine-3-carboxylate | C34H30N2O5

Methyl 4-{3-allyl-4-[(2-cyanobenzyl)oxy]-5-ethoxyphenyl}-2-methyl-5-oxo-4,5-dihydro-1H-indeno[1,2-b]pyridine-3-carboxylate

  • Molecular FormulaC34H30N2O5
  • Average mass546.612 Da
  • Monoisotopic mass546.215454 Da
  • ChemSpider ID2391223

More details:

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

1H-Indeno[1,2-b]pyridine-3-carboxylic acid, 4-[4-[(2-cyanophenyl)methoxy]-3-ethoxy-5-(2-propen-1-yl)phenyl]-4,5-dihydro-2-methyl-5-oxo-, methyl ester [ACD/Index Name]
4-{3-Allyl-4-[(2-cyanobenzyl)oxy]-5-éthoxyphényl}-2-méthyl-5-oxo-4,5-dihydro-1H-indéno[1,2-b]pyridine-3-carboxylate de méthyle [French] [ACD/IUPAC Name]
Methyl 4-{3-allyl-4-[(2-cyanobenzyl)oxy]-5-ethoxyphenyl}-2-methyl-5-oxo-4,5-dihydro-1H-indeno[1,2-b]pyridine-3-carboxylate [ACD/IUPAC Name]
Methyl-4-{3-allyl-4-[(2-cyanbenzyl)oxy]-5-ethoxyphenyl}-2-methyl-5-oxo-4,5-dihydro-1H-indeno[1,2-b]pyridin-3-carboxylat [German] [ACD/IUPAC Name]
352559-54-7 [RN]
4-[3-Allyl-4-(2-cyano-benzyloxy)-5-ethoxy-phenyl]-2-methyl-5-oxo-4,5-dihydro-1H-indeno[1,2-b]pyridine-3-carboxylic acid methyl ester
AC1MJK6X
AGN-PC-0KPQSY
AKOS000404823
methyl 4-(3-allyl-4-((2-cyanobenzyl)oxy)-5-ethoxyphenyl)-2-methyl-5-oxo-4,5-dihydro-1H-indeno[1,2-b]pyridine-3-carboxylate
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Validated by Experts, Validated by Users, Non-Validated, Removed by Users

AH-487/14753080 [DBID]
BAS 02164916 [DBID]

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

    Density: 1.3±0.1 g/cm3
    Boiling Point: 713.7±60.0 °C at 760 mmHg
    Vapour Pressure: 0.0±2.3 mmHg at 25°C
    Enthalpy of Vaporization: 104.3±3.0 kJ/mol
    Flash Point: 385.4±32.9 °C
    Index of Refraction: 1.646
    Molar Refractivity: 153.9±0.4 cm3
    #H bond acceptors: 7
    #H bond donors: 1
    #Freely Rotating Bonds: 11
    #Rule of 5 Violations: 2
    ACD/LogP: 5.72
    ACD/LogD (pH 5.5): 5.92
    ACD/BCF (pH 5.5): 18547.50
    ACD/KOC (pH 5.5): 39520.75
    ACD/LogD (pH 7.4): 5.92
    ACD/BCF (pH 7.4): 18547.50
    ACD/KOC (pH 7.4): 39520.75
    Polar Surface Area: 98 Å2
    Polarizability: 61.0±0.5 10-24cm3
    Surface Tension: 60.3±5.0 dyne/cm
    Molar Volume: 423.7±5.0 cm3

    Click to predict properties on the Chemicalize site


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