ChemSpider 2D Image | (2E)-3-(4-Fluorophenyl)-N-{6-[3-(1H-indazol-6-ylamino)-3-oxopropyl]-5-oxo-4,5-dihydro-1,2,4-triazin-3-yl}acrylamide | C22H18FN7O3

(2E)-3-(4-Fluorophenyl)-N-{6-[3-(1H-indazol-6-ylamino)-3-oxopropyl]-5-oxo-4,5-dihydro-1,2,4-triazin-3-yl}acrylamide

  • Molecular FormulaC22H18FN7O3
  • Average mass447.422 Da
  • Monoisotopic mass447.145508 Da
  • ChemSpider ID66808046

  • Double-bond stereo - Double-bond stereo

More details:

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

(2E)-3-(4-Fluorophenyl)-N-{6-[3-(1H-indazol-6-ylamino)-3-oxopropyl]-5-oxo-4,5-dihydro-1,2,4-triazin-3-yl}acrylamide [ACD/IUPAC Name]
(2E)-3-(4-Fluorophényl)-N-{6-[3-(1H-indazol-6-ylamino)-3-oxopropyl]-5-oxo-4,5-dihydro-1,2,4-triazin-3-yl}acrylamide [French] [ACD/IUPAC Name]
(2E)-3-(4-Fluorphenyl)-N-{6-[3-(1H-indazol-6-ylamino)-3-oxopropyl]-5-oxo-4,5-dihydro-1,2,4-triazin-3-yl}acrylamid [German] [ACD/IUPAC Name]
1,2,4-Triazine-6-propanamide, 3-[[(2E)-3-(4-fluorophenyl)-1-oxo-2-propen-1-yl]amino]-4,5-dihydro-N-1H-indazol-6-yl-5-oxo- [ACD/Index Name]

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

Density: 1.5±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.712
Molar Refractivity: 117.5±0.5 cm3
#H bond acceptors: 10
#H bond donors: 4
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 1
ACD/LogP: 1.03
ACD/LogD (pH 5.5): 1.76
ACD/BCF (pH 5.5): 12.81
ACD/KOC (pH 5.5): 215.04
ACD/LogD (pH 7.4): 1.45
ACD/BCF (pH 7.4): 6.30
ACD/KOC (pH 7.4): 105.68
Polar Surface Area: 141 Å2
Polarizability: 46.6±0.5 10-24cm3
Surface Tension: 61.5±7.0 dyne/cm
Molar Volume: 300.0±7.0 cm3

Click to predict properties on the Chemicalize site


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