ChemSpider 2D Image | Ethyl (2E)-2-[(2-ethoxy-1-naphthoyl)imino]-1-isobutyl-5-oxo-1,5-dihydro-2H-dipyrido[1,2-a:2',3'-d]pyrimidine-3-carboxylate | C31H30N4O5

Ethyl (2E)-2-[(2-ethoxy-1-naphthoyl)imino]-1-isobutyl-5-oxo-1,5-dihydro-2H-dipyrido[1,2-a:2',3'-d]pyrimidine-3-carboxylate

  • Molecular FormulaC31H30N4O5
  • Average mass538.594 Da
  • Monoisotopic mass538.221619 Da
  • ChemSpider ID1613355

  • Double-bond stereo - Double-bond stereo

More details:

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

(2E)-2-[(2-Éthoxy-1-naphtoyl)imino]-1-isobutyl-5-oxo-1,5-dihydro-2H-dipyrido[1,2-a:2',3'-d]pyrimidine-3-carboxylate d'éthyle [French] [ACD/IUPAC Name]
2H-Dipyrido[1,2-a:2',3'-d]pyrimidine-3-carboxylic acid, 2-[[(2-ethoxy-1-naphthalenyl)carbonyl]imino]-1,5-dihydro-1-(2-methylpropyl)-5-oxo-, ethyl ester, (2E)- [ACD/Index Name]
Ethyl (2E)-2-[(2-ethoxy-1-naphthoyl)imino]-1-isobutyl-5-oxo-1,5-dihydro-2H-dipyrido[1,2-a:2',3'-d]pyrimidine-3-carboxylate [ACD/IUPAC Name]
Ethyl-(2E)-2-[(2-ethoxy-1-naphthoyl)imino]-1-isobutyl-5-oxo-1,5-dihydro-2H-dipyrido[1,2-a:2',3'-d]pyrimidin-3-carboxylat [German] [ACD/IUPAC Name]
(E)-ethyl 2-((2-ethoxy-1-naphthoyl)imino)-1-isobutyl-5-oxo-2,5-dihydro-1H-dipyrido[1,2-a:2',3'-d]pyrimidine-3-carboxylate
2-(2-Ethoxy-naphthalene-1-carbonylimino)-1-isobutyl-10-oxo-1,10-dihydro-2H-1,9,10a-triaza-anthracene-3-carboxylic acid ethyl ester
685859-90-9 [RN]
ethyl (2E)-2-{[(2-ethoxynaphthalen-1-yl)carbonyl]imino}-1-(2-methylpropyl)-5-oxo-1,5-dihydro-2H-dipyrido[1,2-a:2',3'-d]pyrimidine-3-carboxylate
ethyl (E)-2-((2-ethoxy-1-naphthoyl)imino)-1-isobutyl-5-oxo-1,5-dihydro-2H-dipyrido[1,2-a:2,3-d]pyrimidine-3-carboxylate
MFCD04414621

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

EU-0021514 [DBID]
UNM000000749201 [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: 692.5±65.0 °C at 760 mmHg
    Vapour Pressure: 0.0±2.2 mmHg at 25°C
    Enthalpy of Vaporization: 101.5±3.0 kJ/mol
    Flash Point: 372.6±34.3 °C
    Index of Refraction: 1.639
    Molar Refractivity: 151.3±0.5 cm3
    #H bond acceptors: 9
    #H bond donors: 0
    #Freely Rotating Bonds: 9
    #Rule of 5 Violations: 1
    ACD/LogP: 4.09
    ACD/LogD (pH 5.5): 3.87
    ACD/BCF (pH 5.5): 511.76
    ACD/KOC (pH 5.5): 3025.18
    ACD/LogD (pH 7.4): 3.87
    ACD/BCF (pH 7.4): 511.76
    ACD/KOC (pH 7.4): 3025.18
    Polar Surface Area: 101 Å2
    Polarizability: 60.0±0.5 10-24cm3
    Surface Tension: 48.6±7.0 dyne/cm
    Molar Volume: 420.6±7.0 cm3

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