ChemSpider 2D Image | 3-Ethoxy-N-[5-oxo-6-(3-oxo-3-{[4-(trifluoromethoxy)phenyl]amino}propyl)-4,5-dihydro-1,2,4-triazin-3-yl]benzamide | C22H20F3N5O5

3-Ethoxy-N-[5-oxo-6-(3-oxo-3-{[4-(trifluoromethoxy)phenyl]amino}propyl)-4,5-dihydro-1,2,4-triazin-3-yl]benzamide

  • Molecular FormulaC22H20F3N5O5
  • Average mass491.420 Da
  • Monoisotopic mass491.141663 Da
  • ChemSpider ID66808772

More details:

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

1,2,4-Triazine-6-propanamide, 3-[(3-ethoxybenzoyl)amino]-4,5-dihydro-5-oxo-N-[4-(trifluoromethoxy)phenyl]- [ACD/Index Name]
3-Ethoxy-N-[5-oxo-6-(3-oxo-3-{[4-(trifluormethoxy)phenyl]amino}propyl)-4,5-dihydro-1,2,4-triazin-3-yl]benzamid [German] [ACD/IUPAC Name]
3-Ethoxy-N-[5-oxo-6-(3-oxo-3-{[4-(trifluoromethoxy)phenyl]amino}propyl)-4,5-dihydro-1,2,4-triazin-3-yl]benzamide [ACD/IUPAC Name]
3-Éthoxy-N-[5-oxo-6-(3-oxo-3-{[4-(trifluorométhoxy)phényl]amino}propyl)-4,5-dihydro-1,2,4-triazin-3-yl]benzamide [French] [ACD/IUPAC Name]

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

Density: 1.4±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.598
Molar Refractivity: 116.9±0.5 cm3
#H bond acceptors: 10
#H bond donors: 3
#Freely Rotating Bonds: 10
#Rule of 5 Violations: 1
ACD/LogP: 2.18
ACD/LogD (pH 5.5): 2.56
ACD/BCF (pH 5.5): 51.65
ACD/KOC (pH 5.5): 584.14
ACD/LogD (pH 7.4): 2.31
ACD/BCF (pH 7.4): 28.98
ACD/KOC (pH 7.4): 327.77
Polar Surface Area: 130 Å2
Polarizability: 46.3±0.5 10-24cm3
Surface Tension: 48.1±7.0 dyne/cm
Molar Volume: 342.3±7.0 cm3

Click to predict properties on the Chemicalize site


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