Found 1 result

Search term: HAURVZGCSFOKBL-UHFFFAOYSA-N (Found by InChIKey (full match))
ChemSpider 2D Image | N-(2-{[2-(3,4-Dihydroxyphenyl)-2-oxoethyl]sulfanyl}ethyl)-4'-fluoro-4,5-dihydroxy-3-biphenylcarboxamide | C23H20FNO6S

N-(2-{[2-(3,4-Dihydroxyphenyl)-2-oxoethyl]sulfanyl}ethyl)-4'-fluoro-4,5-dihydroxy-3-biphenylcarboxamide

  • Molecular FormulaC23H20FNO6S
  • Average mass457.471 Da
  • Monoisotopic mass457.099548 Da
  • ChemSpider ID61716378

More details:

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

[1,1'-Biphenyl]-3-carboxamide, N-[2-[[2-(3,4-dihydroxyphenyl)-2-oxoethyl]thio]ethyl]-4'-fluoro-4,5-dihydroxy- [ACD/Index Name]
N-(2-{[2-(3,4-Dihydroxyphenyl)-2-oxoethyl]sulfanyl}ethyl)-4'-fluor-4,5-dihydroxy-3-biphenylcarboxamid [German] [ACD/IUPAC Name]
N-(2-{[2-(3,4-Dihydroxyphenyl)-2-oxoethyl]sulfanyl}ethyl)-4'-fluoro-4,5-dihydroxy-3-biphenylcarboxamide [ACD/IUPAC Name]
N-(2-{[2-(3,4-Dihydroxyphényl)-2-oxoéthyl]sulfanyl}éthyl)-4'-fluoro-4,5-dihydroxy-3-biphénylcarboxamide [French] [ACD/IUPAC Name]
77M
N-[2-[2-(3,4-Dihydroxyphenyl)-2-Oxoethyl]sulfanylethyl]-5-(4-Fluorophenyl)-2,3-Dihydroxybenzamide

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

Density: 1.4±0.1 g/cm3
Boiling Point: 727.4±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.5 mmHg at 25°C
Enthalpy of Vaporization: 110.0±3.0 kJ/mol
Flash Point: 393.7±32.9 °C
Index of Refraction: 1.676
Molar Refractivity: 118.8±0.3 cm3
#H bond acceptors: 7
#H bond donors: 5
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 1
ACD/LogP: 4.71
ACD/LogD (pH 5.5): 3.82
ACD/BCF (pH 5.5): 472.82
ACD/KOC (pH 5.5): 2848.08
ACD/LogD (pH 7.4): 3.47
ACD/BCF (pH 7.4): 208.87
ACD/KOC (pH 7.4): 1258.16
Polar Surface Area: 152 Å2
Polarizability: 47.1±0.5 10-24cm3
Surface Tension: 69.4±3.0 dyne/cm
Molar Volume: 315.9±3.0 cm3

Click to predict properties on the Chemicalize site


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