ChemSpider 2D Image | 5-Fluoro-8-(4-fluorophenyl)-9-(1-methyl-1H-1,2,4-triazol-5-yl)(8-~13~C,1,2-~15~N_2_)-2,7,8,9-tetrahydro-3H-pyrido[4,3,2-de]phthalazin-3-one | C1813CH14F2N415N2O

5-Fluoro-8-(4-fluorophenyl)-9-(1-methyl-1H-1,2,4-triazol-5-yl)(8-13C,1,2-15N2)-2,7,8,9-tetrahydro-3H-pyrido[4,3,2-de]phthalazin-3-one

  • Molecular FormulaC1813CH14F2N415N2O
  • Average mass383.330 Da
  • Monoisotopic mass383.117126 Da
  • ChemSpider ID58781740
  • Non-standard isotope - Non-standard isotope


More details:






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

3H-Pyrido[4,3,2-de]phthalazin-3-one-8-13C-1,2-15N2, 5-fluoro-8-(4-fluorophenyl)-2,7,8,9-tetrahydro-9-(1-methyl-1H-1,2,4-triazol-5-yl)- [ACD/Index Name]
5-Fluor-8-(4-fluorphenyl)-9-(1-methyl-1H-1,2,4-triazol-5-yl)(8-13C,1,2-15N2)-2,7,8,9-tetrahydro-3H-pyrido[4,3,2-de]phthalazin-3-on [German] [ACD/IUPAC Name]
5-Fluoro-8-(4-fluorophényl)-9-(1-méthyl-1H-1,2,4-triazol-5-yl)(8-13C,1,2-15N2)-2,7,8,9-tétrahydro-3H-pyrido[4,3,2-de]phtalazin-3-one [French] [ACD/IUPAC Name]
5-Fluoro-8-(4-fluorophenyl)-9-(1-methyl-1H-1,2,4-triazol-5-yl)(8-13C,1,2-15N2)-2,7,8,9-tetrahydro-3H-pyrido[4,3,2-de]phthalazin-3-one [ACD/IUPAC Name]

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.6±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.775
Molar Refractivity: 97.0±0.5 cm3
#H bond acceptors:
#H bond donors:
#Freely Rotating Bonds:
#Rule of 5 Violations:
ACD/LogP:
ACD/LogD (pH 5.5):
ACD/BCF (pH 5.5):
ACD/KOC (pH 5.5):
ACD/LogD (pH 7.4):
ACD/BCF (pH 7.4):
ACD/KOC (pH 7.4):
Polar Surface Area:
Polarizability: 38.5±0.5 10-24cm3
Surface Tension: 59.6±7.0 dyne/cm
Molar Volume: 232.3±7.0 cm3

Click to predict properties on the Chemicalize site






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