ChemSpider 2D Image | Benzyl 5-{[(4-isopropylphenyl)sulfonyl]amino}-2-methylnaphtho[1,2-b]furan-3-carboxylate | C30H27NO5S

Benzyl 5-{[(4-isopropylphenyl)sulfonyl]amino}-2-methylnaphtho[1,2-b]furan-3-carboxylate

  • Molecular FormulaC30H27NO5S
  • Average mass513.604 Da
  • Monoisotopic mass513.161011 Da
  • ChemSpider ID3509563

More details:

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

5-{[(4-Isopropylphényl)sulfonyl]amino}-2-méthylnaphto[1,2-b]furane-3-carboxylate de benzyle [French] [ACD/IUPAC Name]
Benzyl 5-{[(4-isopropylphenyl)sulfonyl]amino}-2-methylnaphtho[1,2-b]furan-3-carboxylate [ACD/IUPAC Name]
Benzyl-5-{[(4-isopropylphenyl)sulfonyl]amino}-2-methylnaphtho[1,2-b]furan-3-carboxylat [German] [ACD/IUPAC Name]
Naphtho[1,2-b]furan-3-carboxylic acid, 2-methyl-5-[[[4-(1-methylethyl)phenyl]sulfonyl]amino]-, phenylmethyl ester [ACD/Index Name]
442553-92-6 [RN]
benzyl 2-methyl-5-[(4-propan-2-ylphenyl)sulfonylamino]benzo[g][1]benzofuran-3-carboxylate
benzyl 2-methyl-5-[4-(propan-2-yl)benzenesulfonamido]naphtho[1,2-b]furan-3-carboxylate
benzyl 5-((4-isopropylphenyl)sulfonamido)-2-methylnaphtho[1,2-b]furan-3-carboxylate
benzyl 5-(4-isopropylphenylsulfonamido)-2-methylnaphtho[1,2-b]furan-3-carboxylate

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

NCGC00099701-01 [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: 673.6±65.0 °C at 760 mmHg
    Vapour Pressure: 0.0±2.1 mmHg at 25°C
    Enthalpy of Vaporization: 98.9±3.0 kJ/mol
    Flash Point: 361.2±34.3 °C
    Index of Refraction: 1.661
    Molar Refractivity: 145.8±0.4 cm3
    #H bond acceptors: 6
    #H bond donors: 1
    #Freely Rotating Bonds: 8
    #Rule of 5 Violations: 2
    ACD/LogP: 7.81
    ACD/LogD (pH 5.5): 7.11
    ACD/BCF (pH 5.5): 147811.52
    ACD/KOC (pH 5.5): 174448.70
    ACD/LogD (pH 7.4): 7.01
    ACD/BCF (pH 7.4): 118735.27
    ACD/KOC (pH 7.4): 140132.61
    Polar Surface Area: 94 Å2
    Polarizability: 57.8±0.5 10-24cm3
    Surface Tension: 56.7±3.0 dyne/cm
    Molar Volume: 394.5±3.0 cm3

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