ChemSpider 2D Image | N-[3-Cyano-1-(4-methoxybenzyl)-4,5-diphenyl-1H-pyrrol-2-yl]-2-(2-thienyl)acetamide | C31H25N3O2S

N-[3-Cyano-1-(4-methoxybenzyl)-4,5-diphenyl-1H-pyrrol-2-yl]-2-(2-thienyl)acetamide

  • Molecular FormulaC31H25N3O2S
  • Average mass503.614 Da
  • Monoisotopic mass503.166748 Da
  • ChemSpider ID1374850

More details:

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

2-Thiopheneacetamide, N-[3-cyano-1-[(4-methoxyphenyl)methyl]-4,5-diphenyl-1H-pyrrol-2-yl]- [ACD/Index Name]
N-[3-Cyan-1-(4-methoxybenzyl)-4,5-diphenyl-1H-pyrrol-2-yl]-2-(2-thienyl)acetamid [German] [ACD/IUPAC Name]
N-[3-Cyano-1-(4-methoxybenzyl)-4,5-diphenyl-1H-pyrrol-2-yl]-2-(2-thienyl)acetamide [ACD/IUPAC Name]
N-[3-Cyano-1-(4-méthoxybenzyl)-4,5-diphényl-1H-pyrrol-2-yl]-2-(2-thiényl)acétamide [French] [ACD/IUPAC Name]
524002-31-1 [RN]
AC1LWNYJ
AGN-PC-0K8P21
AKOS003294707
MCULE-1565900666
MolPort-000-906-055
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Validated by Experts, Validated by Users, Non-Validated, Removed by Users

A3193/0135293 [DBID]
AE-848/42025389 [DBID]
ZINC02072965 [DBID]

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

    Density: 1.2±0.1 g/cm3
    Boiling Point: 718.2±60.0 °C at 760 mmHg
    Vapour Pressure: 0.0±2.3 mmHg at 25°C
    Enthalpy of Vaporization: 104.9±3.0 kJ/mol
    Flash Point: 388.1±32.9 °C
    Index of Refraction: 1.644
    Molar Refractivity: 151.5±0.5 cm3
    #H bond acceptors: 5
    #H bond donors: 1
    #Freely Rotating Bonds: 9
    #Rule of 5 Violations: 2
    ACD/LogP: 6.53
    ACD/LogD (pH 5.5): 6.12
    ACD/BCF (pH 5.5): 26463.19
    ACD/KOC (pH 5.5): 50969.70
    ACD/LogD (pH 7.4): 6.12
    ACD/BCF (pH 7.4): 26463.19
    ACD/KOC (pH 7.4): 50969.70
    Polar Surface Area: 95 Å2
    Polarizability: 60.0±0.5 10-24cm3
    Surface Tension: 48.8±7.0 dyne/cm
    Molar Volume: 418.1±7.0 cm3

    Click to predict properties on the Chemicalize site


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