ChemSpider 2D Image | Lomibuvir | C25H35NO4S

Lomibuvir

  • Molecular FormulaC25H35NO4S
  • Average mass445.615 Da
  • Monoisotopic mass445.228668 Da
  • ChemSpider ID27444383

  • defined stereocentres - 4 of 4 defined stereocentres

More details:

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

Lomibuvir [INN] [USAN]
1026785-55-6 [RN]
2-Thiophenecarboxylic acid, 5-(3,3-dimethyl-1-butyn-1-yl)-3-[(trans-4-hydroxycyclohexyl)[(trans-4-methylcyclohexyl)carbonyl]amino]- [ACD/Index Name]
5-(3,3-Dimethyl-1-butin-1-yl)-3-{(trans-4-hydroxycyclohexyl)[(trans-4-methylcyclohexyl)carbonyl]amino}-2-thiophencarbonsäure [German] [ACD/IUPAC Name]
5-(3,3-Dimethyl-1-butyn-1-yl)-3-{(trans-4-hydroxycyclohexyl)[(trans-4-methylcyclohexyl)carbonyl]amino}-2-thiophenecarboxylic acid [ACD/IUPAC Name]
5-(3,3-dimethylbut-1-ynyl)-3-{(trans-4-hydroxycyclohexyl)[(trans-4-methylcyclohexyl)carbonyl]amino}thiophene-2-carboxylic acid
Acide 5-(3,3-diméthyl-1-butyn-1-yl)-3-{(trans-4-hydroxycyclohexyl)[(trans-4-méthylcyclohexyl)carbonyl]amino}-2-thiophènecarboxylique [French] [ACD/IUPAC Name]
Lomibuvir [Spanish] [INN]
Lomibuvir [French] [INN]
Lomibuvirum [Latin] [INN]
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    Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

    Density: 1.2±0.1 g/cm3
    Boiling Point: 640.5±55.0 °C at 760 mmHg
    Vapour Pressure: 0.0±2.0 mmHg at 25°C
    Enthalpy of Vaporization: 99.4±3.0 kJ/mol
    Flash Point: 341.2±31.5 °C
    Index of Refraction: 1.589
    Molar Refractivity: 123.2±0.4 cm3
    #H bond acceptors: 5
    #H bond donors: 2
    #Freely Rotating Bonds: 6
    #Rule of 5 Violations: 1
    ACD/LogP: 5.15
    ACD/LogD (pH 5.5): 3.35
    ACD/BCF (pH 5.5): 77.02
    ACD/KOC (pH 5.5): 242.88
    ACD/LogD (pH 7.4): 2.09
    ACD/BCF (pH 7.4): 4.25
    ACD/KOC (pH 7.4): 13.40
    Polar Surface Area: 106 Å2
    Polarizability: 48.8±0.5 10-24cm3
    Surface Tension: 56.9±5.0 dyne/cm
    Molar Volume: 365.3±5.0 cm3

    Click to predict properties on the Chemicalize site


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