Found 364 results

Search term: MF = 'C_{34}H_{35}N_{3}O_{2}'
ChemSpider 2D Image | (1S,2S,3aR)-1-(Adamantan-1-ylcarbonyl)-2-(4-isopropoxyphenyl)-1,2-dihydropyrrolo[1,2-a]quinoline-3,3(3aH)-dicarbonitrile | C34H35N3O2

(1S,2S,3aR)-1-(Adamantan-1-ylcarbonyl)-2-(4-isopropoxyphenyl)-1,2-dihydropyrrolo[1,2-a]quinoline-3,3(3aH)-dicarbonitrile

  • Molecular FormulaC34H35N3O2
  • Average mass517.661 Da
  • Monoisotopic mass517.272949 Da
  • ChemSpider ID10013046

  • defined stereocentres - 3 of 7 defined stereocentres

More details:

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

(1S,2S,3aR)-1-(Adamantan-1-ylcarbonyl)-2-(4-isopropoxyphenyl)-1,2-dihydropyrrolo[1,2-a]chinolin-3,3(3aH)-dicarbonitril [German] [ACD/IUPAC Name]
(1S,2S,3aR)-1-(Adamantan-1-ylcarbonyl)-2-(4-isopropoxyphényl)-1,2-dihydropyrrolo[1,2-a]quinoléine-3,3(3aH)-dicarbonitrile [French] [ACD/IUPAC Name]
(1S,2S,3aR)-1-(Adamantan-1-ylcarbonyl)-2-(4-isopropoxyphenyl)-1,2-dihydropyrrolo[1,2-a]quinoline-3,3(3aH)-dicarbonitrile [ACD/IUPAC Name]
Pyrrolo[1,2-a]quinoline-3,3(3aH)-dicarbonitrile, 1,2-dihydro-2-[4-(1-methylethoxy)phenyl]-1-(tricyclo[3.3.1.13,7]dec-1-ylcarbonyl)-, (1S,2S,3aR)- [ACD/Index Name]
(1S,2S,3aR)-1-(adamantane-1-carbonyl)-2-(4-propan-2-yloxyphenyl)-2,3a-dihydro-1H-pyrrolo[1,2-a]quinoline-3,3-dicarbonitrile
(1S,2S,3aR)-2-[4-(propan-2-yloxy)phenyl]-1-(tricyclo[3.3.1.13,7]dec-1-ylcarbonyl)-1,2-dihydropyrrolo[1,2-a]quinoline-3,3(3aH)-dicarbonitrile
1-(1-adamantylcarbonyl)-2-(4-isopropoxyphenyl)-1,2-dihydropyrrolo[1,2-a]quinoline-3,3(3aH)-dicarbonitrile
293751-86-7 [RN]
FEBMZPZUJDRZHV-LFSXOUKUSA-N

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

AM-807/37225025 [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: 724.4±60.0 °C at 760 mmHg
    Vapour Pressure: 0.0±2.3 mmHg at 25°C
    Enthalpy of Vaporization: 105.8±3.0 kJ/mol
    Flash Point: 391.9±32.9 °C
    Index of Refraction: 1.650
    Molar Refractivity: 148.5±0.4 cm3
    #H bond acceptors: 5
    #H bond donors: 0
    #Freely Rotating Bonds: 7
    #Rule of 5 Violations: 2
    ACD/LogP: 6.39
    ACD/LogD (pH 5.5): 6.28
    ACD/BCF (pH 5.5): 35192.96
    ACD/KOC (pH 5.5): 62508.14
    ACD/LogD (pH 7.4): 6.28
    ACD/BCF (pH 7.4): 35192.96
    ACD/KOC (pH 7.4): 62508.14
    Polar Surface Area: 77 Å2
    Polarizability: 58.9±0.5 10-24cm3
    Surface Tension: 62.5±5.0 dyne/cm
    Molar Volume: 407.0±5.0 cm3

    Click to predict properties on the Chemicalize site


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