ChemSpider 2D Image | Ethyl 2-[(adamantan-1-ylcarbonyl)amino]-5-{[2-(ethoxycarbonyl)phenyl]carbamoyl}-4-methyl-3-thiophenecarboxylate | C29H34N2O6S

Ethyl 2-[(adamantan-1-ylcarbonyl)amino]-5-{[2-(ethoxycarbonyl)phenyl]carbamoyl}-4-methyl-3-thiophenecarboxylate

  • Molecular FormulaC29H34N2O6S
  • Average mass538.655 Da
  • Monoisotopic mass538.213745 Da
  • ChemSpider ID3001078

More details:

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

2-[(Adamantan-1-ylcarbonyl)amino]-5-{[2-(éthoxycarbonyl)phényl]carbamoyl}-4-méthyl-3-thiophènecarboxylate d'éthyle [French] [ACD/IUPAC Name]
297157-93-8 [RN]
3-Thiophenecarboxylic acid, 5-[[[2-(ethoxycarbonyl)phenyl]amino]carbonyl]-4-methyl-2-[(tricyclo[3.3.1.13,7]dec-1-ylcarbonyl)amino]-, ethyl ester [ACD/Index Name]
Ethyl 2-[(adamantan-1-ylcarbonyl)amino]-5-{[2-(ethoxycarbonyl)phenyl]carbamoyl}-4-methyl-3-thiophenecarboxylate [ACD/IUPAC Name]
Ethyl 2-[(adamantan-1-ylcarbonyl)amino]-5-{[2-(ethoxycarbonyl)phenyl]carbamoyl}-4-methylthiophene-3-carboxylate
Ethyl 5-[[[2-(ethoxycarbonyl)phenyl]amino]carbonyl]-4-methyl-2-[(tricyclo[3.3.1.13,7]dec-1-ylcarbonyl)amino]-3-thiophenecarboxylate
Ethyl-2-[(adamantan-1-ylcarbonyl)amino]-5-{[2-(ethoxycarbonyl)phenyl]carbamoyl}-4-methyl-3-thiophencarboxylat [German] [ACD/IUPAC Name]
2-[(Adamantane-1-carbonyl)-amino]-5-(2-ethoxycarbonyl-phenylcarbamoyl)-4-methyl-thiophene-3-carboxylic acid ethyl ester
ethyl 2-(adamantane-1-carboxamido)-5-((2-(ethoxycarbonyl)phenyl)carbamoyl)-4-methylthiophene-3-carboxylate
ethyl 2-[(1-adamantylcarbonyl)amino]-5-({[2-(ethoxycarbonyl)phenyl]amino}carbonyl)-4-methylthiophene-3-carboxylate
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Validated by Experts, Validated by Users, Non-Validated, Removed by Users

A2314/0097636 [DBID]
ChemDiv1_005901 [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: 667.1±55.0 °C at 760 mmHg
    Vapour Pressure: 0.0±2.0 mmHg at 25°C
    Enthalpy of Vaporization: 98.1±3.0 kJ/mol
    Flash Point: 357.2±31.5 °C
    Index of Refraction: 1.641
    Molar Refractivity: 146.5±0.3 cm3
    #H bond acceptors: 8
    #H bond donors: 2
    #Freely Rotating Bonds: 10
    #Rule of 5 Violations: 2
    ACD/LogP: 8.09
    ACD/LogD (pH 5.5): 6.88
    ACD/BCF (pH 5.5): 99373.94
    ACD/KOC (pH 5.5): 131409.45
    ACD/LogD (pH 7.4): 6.88
    ACD/BCF (pH 7.4): 99362.27
    ACD/KOC (pH 7.4): 131394.02
    Polar Surface Area: 139 Å2
    Polarizability: 58.1±0.5 10-24cm3
    Surface Tension: 61.2±3.0 dyne/cm
    Molar Volume: 406.2±3.0 cm3

    Click to predict properties on the Chemicalize site


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