Found 1 result

Search term: MYCHLIVPJDYHPD-HNQUOIGGSA-N (Found by InChIKey (full match))
ChemSpider 2D Image | 4'-Fluoro-4,5-dihydroxy-N-[(3E)-5-(1H-pyrrolo[3,2-c]pyridin-1-yl)-3-penten-1-yl]-3-biphenylcarboxamide | C25H22FN3O3

4'-Fluoro-4,5-dihydroxy-N-[(3E)-5-(1H-pyrrolo[3,2-c]pyridin-1-yl)-3-penten-1-yl]-3-biphenylcarboxamide

  • Molecular FormulaC25H22FN3O3
  • Average mass431.459 Da
  • Monoisotopic mass431.164520 Da
  • ChemSpider ID61716387

  • Double-bond stereo - Double-bond stereo

More details:

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

[1,1'-Biphenyl]-3-carboxamide, 4'-fluoro-4,5-dihydroxy-N-[(3E)-5-(1H-pyrrolo[3,2-c]pyridin-1-yl)-3-penten-1-yl]- [ACD/Index Name]
4'-Fluor-4,5-dihydroxy-N-[(3E)-5-(1H-pyrrolo[3,2-c]pyridin-1-yl)-3-penten-1-yl]-3-biphenylcarboxamid [German] [ACD/IUPAC Name]
4'-Fluoro-4,5-dihydroxy-N-[(3E)-5-(1H-pyrrolo[3,2-c]pyridin-1-yl)-3-penten-1-yl]-3-biphenylcarboxamide [ACD/IUPAC Name]
4'-Fluoro-4,5-dihydroxy-N-[(3E)-5-(1H-pyrrolo[3,2-c]pyridin-1-yl)-3-pentén-1-yl]-3-biphénylcarboxamide [French] [ACD/IUPAC Name]
5-(4-Fluorophenyl)-2,3-Dihydroxy-N-[(E)-5-Pyrrolo[3,2-C]pyridin-1-Ylpent-3-Enyl]benzamide

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

769 [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: 651.8±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.0 mmHg at 25°C
Enthalpy of Vaporization: 99.5±3.0 kJ/mol
Flash Point: 348.0±31.5 °C
Index of Refraction: 1.634
Molar Refractivity: 120.1±0.5 cm3
#H bond acceptors: 6
#H bond donors: 3
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 0
ACD/LogP: 4.41
ACD/LogD (pH 5.5): 1.76
ACD/BCF (pH 5.5): 3.57
ACD/KOC (pH 5.5): 18.93
ACD/LogD (pH 7.4): 3.00
ACD/BCF (pH 7.4): 61.76
ACD/KOC (pH 7.4): 327.34
Polar Surface Area: 87 Å2
Polarizability: 47.6±0.5 10-24cm3
Surface Tension: 49.7±7.0 dyne/cm
Molar Volume: 335.6±7.0 cm3

Click to predict properties on the Chemicalize site


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