ChemSpider 2D Image | asapiprant | C24H27N3O7S

asapiprant

  • Molecular FormulaC24H27N3O7S
  • Average mass501.552 Da
  • Monoisotopic mass501.156982 Da
  • ChemSpider ID32699148

More details:

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

[5-{4-[(4-Isopropoxyphenyl)sulfonyl]-1-piperazinyl}-2-(1,3-oxazol-2-yl)phenoxy]acetic acid [ACD/IUPAC Name]
[5-{4-[(4-Isopropoxyphenyl)sulfonyl]-1-piperazinyl}-2-(1,3-oxazol-2-yl)phenoxy]essigsäure [German] [ACD/IUPAC Name]
2-[2-(1,3-oxazol-2-yl)-5-{4-[4-(propan-2-yloxy)benzenesulfonyl]piperazin-1-yl}phenoxy]acetic acid
932372-01-5 [RN]
Acetic acid, 2-[5-[4-[[4-(1-methylethoxy)phenyl]sulfonyl]-1-piperazinyl]-2-(2-oxazolyl)phenoxy]- [ACD/Index Name]
Acide [5-{4-[(4-isopropoxyphényl)sulfonyl]-1-pipérazinyl}-2-(1,3-oxazol-2-yl)phénoxy]acétique [French] [ACD/IUPAC Name]
asapiprant [INN]
asapiprant [Spanish] [INN]
asapiprant [French] [INN]
asapiprantum [Latin] [INN]
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Validated by Experts, Validated by Users, Non-Validated, Removed by Users

9781 [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: 731.6±70.0 °C at 760 mmHg
    Vapour Pressure: 0.0±2.5 mmHg at 25°C
    Enthalpy of Vaporization: 112.1±3.0 kJ/mol
    Flash Point: 396.3±35.7 °C
    Index of Refraction: 1.599
    Molar Refractivity: 127.8±0.4 cm3
    #H bond acceptors: 10
    #H bond donors: 1
    #Freely Rotating Bonds: 9
    #Rule of 5 Violations: 2
    ACD/LogP: 3.18
    ACD/LogD (pH 5.5): 0.31
    ACD/BCF (pH 5.5): 1.00
    ACD/KOC (pH 5.5): 2.81
    ACD/LogD (pH 7.4): -0.94
    ACD/BCF (pH 7.4): 1.00
    ACD/KOC (pH 7.4): 1.00
    Polar Surface Area: 131 Å2
    Polarizability: 50.7±0.5 10-24cm3
    Surface Tension: 55.6±3.0 dyne/cm
    Molar Volume: 373.9±3.0 cm3

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