ChemSpider 2D Image | MFCD22415240 | C36H38F4N4O2S

MFCD22415240

  • Molecular FormulaC36H38F4N4O2S
  • Average mass666.771 Da
  • Monoisotopic mass666.265137 Da
  • ChemSpider ID34065823

More details:

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

1389264-17-8 [RN]
Acetamide, N-[2-(diethylamino)ethyl]-2-[[2-[[(4-fluorophenyl)methyl]thio]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]oxy]-N-[[4'-(trifluoromethyl)[1,1'-biphenyl]-4-yl]methyl]- [ACD/Index Name]
MFCD22415240
N-(2-(Diethylamino)ethyl)-2-((2-((4-fluorobenzyl)thio)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)oxy)-N-((4'-(trifluoromethyl)-[1,1'-biphenyl]-4-yl)methyl)acetamide
N-[2-(Diethylamino)ethyl]-2-({2-[(4-fluorbenzyl)sulfanyl]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl}oxy)-N-{[4'-(trifluormethyl)-4-biphenylyl]methyl}acetamid [German] [ACD/IUPAC Name]
N-[2-(Diethylamino)ethyl]-2-({2-[(4-fluorobenzyl)sulfanyl]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl}oxy)-N-{[4'-(trifluoromethyl)-4-biphenylyl]methyl}acetamide [ACD/IUPAC Name]
N-[2-(Diéthylamino)éthyl]-2-({2-[(4-fluorobenzyl)sulfanyl]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl}oxy)-N-{[4'-(trifluorométhyl)-4-biphénylyl]méthyl}acétamide [French] [ACD/IUPAC Name]
CCN(CC)CCN(CC1=CC=C(C=C1)C1=CC=C(C=C1)C(F)(F)F)C(=O)COC1=NC(SCC2=CC=C(F)C=C2)=NC2=C1CCC2
missing
N-(2-Diethylaminoethyl)-2-[[2-[(4-fluorophenyl)methylsulfanyl]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]oxy]-N-[[4-[4-(trifluoromethyl)phenyl]phenyl]methyl]acetamide

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

    Density: 1.3±0.1 g/cm3
    Boiling Point: 766.5±60.0 °C at 760 mmHg
    Vapour Pressure: 0.0±2.6 mmHg at 25°C
    Enthalpy of Vaporization: 111.6±3.0 kJ/mol
    Flash Point: 417.4±32.9 °C
    Index of Refraction: 1.615
    Molar Refractivity: 177.4±0.4 cm3
    #H bond acceptors: 6
    #H bond donors: 0
    #Freely Rotating Bonds: 15
    #Rule of 5 Violations: 2
    ACD/LogP: 9.23
    ACD/LogD (pH 5.5): 5.16
    ACD/BCF (pH 5.5): 962.72
    ACD/KOC (pH 5.5): 696.42
    ACD/LogD (pH 7.4): 6.55
    ACD/BCF (pH 7.4): 24114.64
    ACD/KOC (pH 7.4): 17444.16
    Polar Surface Area: 84 Å2
    Polarizability: 70.3±0.5 10-24cm3
    Surface Tension: 57.7±5.0 dyne/cm
    Molar Volume: 508.2±5.0 cm3

    Click to predict properties on the Chemicalize site


    Advertisement