ChemSpider 2D Image | Taprenepag isopropyl | C27H28N4O5S

Taprenepag isopropyl

  • Molecular FormulaC27H28N4O5S
  • Average mass520.600 Da
  • Monoisotopic mass520.178040 Da
  • ChemSpider ID28528349

More details:

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

[3-({[4-(1H-Pyrazol-1-yl)benzyl](3-pyridinylsulfonyl)amino}méthyl)phénoxy]acétate d'isopropyle [French] [ACD/IUPAC Name]
1005549-94-9 [RN]
2-[3-[[[[4-(1H-Pyrazol-1-yl)phenyl]methyl](3-pyridinylsulfonyl)amino]methyl]phenoxy]-acetic acid 1-methylethyl ester
Acetic acid, 2-[3-[[[[4-(1H-pyrazol-1-yl)phenyl]methyl](3-pyridinylsulfonyl)amino]methyl]phenoxy]-, 1-methylethyl ester [ACD/Index Name]
Isopropyl [3-({[4-(1H-pyrazol-1-yl)benzyl](3-pyridinylsulfonyl)amino}methyl)phenoxy]acetate [ACD/IUPAC Name]
Isopropyl 2-[3-[[[[4-(1H-pyrazol-1-yl)phenyl]methyl](pyridin-3-ylsulfonyl)amino]methyl]phenoxy]acetate
Isopropyl-[3-({[4-(1H-pyrazol-1-yl)benzyl](3-pyridinylsulfonyl)amino}methyl)phenoxy]acetat [German] [ACD/IUPAC Name]
Taprenepag isopropyl [USAN]
2-[3-[[(4-pyrazol-1-ylbenzyl)-(3-pyridylsulfonyl)amino]methyl]phenoxy]acetic acid isopropyl ester

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

PF 04217329 [DBID]
PF-04217329 [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: 690.0±65.0 °C at 760 mmHg
    Vapour Pressure: 0.0±2.2 mmHg at 25°C
    Enthalpy of Vaporization: 101.1±3.0 kJ/mol
    Flash Point: 371.1±34.3 °C
    Index of Refraction: 1.614
    Molar Refractivity: 143.8±0.5 cm3
    #H bond acceptors: 9
    #H bond donors: 0
    #Freely Rotating Bonds: 12
    #Rule of 5 Violations: 1
    ACD/LogP: 3.94
    ACD/LogD (pH 5.5): 4.04
    ACD/BCF (pH 5.5): 688.47
    ACD/KOC (pH 5.5): 3740.11
    ACD/LogD (pH 7.4): 4.04
    ACD/BCF (pH 7.4): 688.90
    ACD/KOC (pH 7.4): 3742.41
    Polar Surface Area: 112 Å2
    Polarizability: 57.0±0.5 10-24cm3
    Surface Tension: 49.8±7.0 dyne/cm
    Molar Volume: 412.4±7.0 cm3

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