ChemSpider 2D Image | 4-tert-Butyl-N-[(2E)-3-cyano-1-(3-isopropoxypropyl)-10-methyl-5-oxo-1,5-dihydro-2H-dipyrido[1,2-a:2',3'-d]pyrimidin-2-ylidene]benzamide | C30H33N5O3

4-tert-Butyl-N-[(2E)-3-cyano-1-(3-isopropoxypropyl)-10-methyl-5-oxo-1,5-dihydro-2H-dipyrido[1,2-a:2',3'-d]pyrimidin-2-ylidene]benzamide

  • Molecular FormulaC30H33N5O3
  • Average mass511.615 Da
  • Monoisotopic mass511.258331 Da
  • ChemSpider ID1524114

  • Double-bond stereo - Double-bond stereo

More details:

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

4-tert-Butyl-N-[(2E)-3-cyano-1-(3-isopropoxypropyl)-10-methyl-5-oxo-1,5-dihydro-2H-dipyrido[1,2-a:2',3'-d]pyrimidin-2-ylidene]benzamide
Benzamide, N-[(2E)-3-cyano-1,5-dihydro-10-methyl-1-[3-(1-methylethoxy)propyl]-5-oxo-2H-dipyrido[1,2-a:2',3'-d]pyrimidin-2-ylidene]-4-(1,1-dimethylethyl)- [ACD/Index Name]
N-[(2E)-3-Cyan-1-(3-isopropoxypropyl)-10-methyl-5-oxo-1,5-dihydro-2H-dipyrido[1,2-a:2',3'-d]pyrimidin-2-yliden]-4-(2-methyl-2-propanyl)benzamid [German] [ACD/IUPAC Name]
N-[(2E)-3-Cyano-1-(3-isopropoxypropyl)-10-methyl-5-oxo-1,5-dihydro-2H-dipyrido[1,2-a:2',3'-d]pyrimidin-2-ylidene]-4-(2-methyl-2-propanyl)benzamide [ACD/IUPAC Name]
N-[(2E)-3-Cyano-1-(3-isopropoxypropyl)-10-méthyl-5-oxo-1,5-dihydro-2H-dipyrido[1,2-a:2',3'-d]pyrimidin-2-ylidène]-4-(2-méthyl-2-propanyl)benzamide [French] [ACD/IUPAC Name]
(E)-4-(tert-butyl)-N-(3-cyano-1-(3-isopropoxypropyl)-10-methyl-5-oxo-1H-dipyrido[1,2-a:2',3'-d]pyrimidin-2(5H)-ylidene)benzamide
4-tert-Butyl-N-[3-cyano-1-(3-isopropoxy-propyl)-8-methyl-10-oxo-1,10-dihydro-1,9,10a-triaza-anthracen-2-ylidene]-benzamide
4-tert-butyl-N-{(2E)-3-cyano-10-methyl-5-oxo-1-[3-(propan-2-yloxy)propyl]-1,5-dihydro-2H-dipyrido[1,2-a:2',3'-d]pyrimidin-2-ylidene}benzamide
845664-15-5 [RN]

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

    Density: 1.2±0.1 g/cm3
    Boiling Point: 619.0±65.0 °C at 760 mmHg
    Vapour Pressure: 0.0±1.8 mmHg at 25°C
    Enthalpy of Vaporization: 91.8±3.0 kJ/mol
    Flash Point: 328.1±34.3 °C
    Index of Refraction: 1.610
    Molar Refractivity: 149.1±0.5 cm3
    #H bond acceptors: 8
    #H bond donors: 0
    #Freely Rotating Bonds: 9
    #Rule of 5 Violations: 1
    ACD/LogP: 4.18
    ACD/LogD (pH 5.5): 4.11
    ACD/BCF (pH 5.5): 787.73
    ACD/KOC (pH 5.5): 4119.35
    ACD/LogD (pH 7.4): 4.11
    ACD/BCF (pH 7.4): 787.73
    ACD/KOC (pH 7.4): 4119.35
    Polar Surface Area: 98 Å2
    Polarizability: 59.1±0.5 10-24cm3
    Surface Tension: 44.3±7.0 dyne/cm
    Molar Volume: 429.8±7.0 cm3

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