Found 366 results

Search term: MF = 'C_{23}H_{26}N_{4}O_{7}S'
ChemSpider 2D Image | dimethyl 5-[({1-(1-adamantyl)-4-nitro-1H-pyrazol-3-yl}carbonyl)amino]-3-methyl-2,4-thiophenedicarboxylate | C23H26N4O7S

dimethyl 5-[({1-(1-adamantyl)-4-nitro-1H-pyrazol-3-yl}carbonyl)amino]-3-methyl-2,4-thiophenedicarboxylate

  • Molecular FormulaC23H26N4O7S
  • Average mass502.540 Da
  • Monoisotopic mass502.152222 Da
  • ChemSpider ID3882774

More details:

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

2,4-Thiophenedicarboxylic acid, 3-methyl-5-[[(4-nitro-1-tricyclo[3.3.1.13,7]dec-1-yl-1H-pyrazol-3-yl)carbonyl]amino]-, dimethyl ester [ACD/Index Name]
5-({[1-(Adamantan-1-yl)-4-nitro-1H-pyrazol-3-yl]carbonyl}amino)-3-méthyl-2,4-thiophènedicarboxylate de diméthyle [French] [ACD/IUPAC Name]
Dimethyl 5-({[1-(adamantan-1-yl)-4-nitro-1H-pyrazol-3-yl]carbonyl}amino)-3-methyl-2,4-thiophenedicarboxylate [ACD/IUPAC Name]
dimethyl 5-[({1-(1-adamantyl)-4-nitro-1H-pyrazol-3-yl}carbonyl)amino]-3-methyl-2,4-thiophenedicarboxylate
Dimethyl-5-({[1-(adamantan-1-yl)-4-nitro-1H-pyrazol-3-yl]carbonyl}amino)-3-methyl-2,4-thiophendicarboxylat [German] [ACD/IUPAC Name]
496010-93-6 [RN]
dimethyl 3-methyl-5-({[4-nitro-1-(tricyclo[3.3.1.13,7]dec-1-yl)-1H-pyrazol-3-yl]carbonyl}amino)thiophene-2,4-dicarboxylate
dimethyl 5-(1-(adamantan-1-yl)-4-nitro-1H-pyrazole-3-carboxamido)-3-methylthiophene-2,4-dicarboxylate
JKJSPUMATKPRPB-UHFFFAOYSA-N

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

AK-968/41017840 [DBID]

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

    Density: 1.6±0.1 g/cm3
    Boiling Point: 608.0±55.0 °C at 760 mmHg
    Vapour Pressure: 0.0±1.7 mmHg at 25°C
    Enthalpy of Vaporization: 90.3±3.0 kJ/mol
    Flash Point: 321.5±31.5 °C
    Index of Refraction: 1.745
    Molar Refractivity: 124.6±0.5 cm3
    #H bond acceptors: 11
    #H bond donors: 1
    #Freely Rotating Bonds: 8
    #Rule of 5 Violations: 3
    ACD/LogP: 5.79
    ACD/LogD (pH 5.5): 4.77
    ACD/BCF (pH 5.5): 2466.39
    ACD/KOC (pH 5.5): 9324.65
    ACD/LogD (pH 7.4): 4.77
    ACD/BCF (pH 7.4): 2465.47
    ACD/KOC (pH 7.4): 9321.20
    Polar Surface Area: 174 Å2
    Polarizability: 49.4±0.5 10-24cm3
    Surface Tension: 68.5±7.0 dyne/cm
    Molar Volume: 307.5±7.0 cm3

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