ChemSpider 2D Image | (8R,9S)-5-Fluoro-8-(4-fluorophenyl)-9-(1-methyl-1H-1,2,4-triazol-5-yl)-1,2,8,9-tetrahydro-3H-pyrido[4,3,2-de]phthalazin-3-one | C19H14F2N6O

(8R,9S)-5-Fluoro-8-(4-fluorophenyl)-9-(1-methyl-1H-1,2,4-triazol-5-yl)-1,2,8,9-tetrahydro-3H-pyrido[4,3,2-de]phthalazin-3-one

  • Molecular FormulaC19H14F2N6O
  • Average mass380.351 Da
  • Monoisotopic mass380.119720 Da
  • ChemSpider ID35519891

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

(8R,9S)-5-Fluor-8-(4-fluorphenyl)-9-(1-methyl-1H-1,2,4-triazol-5-yl)-1,2,8,9-tetrahydro-3H-pyrido[4,3,2-de]phthalazin-3-on [German] [ACD/IUPAC Name]
(8R,9S)-5-Fluoro-8-(4-fluorophényl)-9-(1-méthyl-1H-1,2,4-triazol-5-yl)-1,2,8,9-tétrahydro-3H-pyrido[4,3,2-de]phtalazin-3-one [French] [ACD/IUPAC Name]
(8R,9S)-5-Fluoro-8-(4-fluorophenyl)-9-(1-methyl-1H-1,2,4-triazol-5-yl)-1,2,8,9-tetrahydro-3H-pyrido[4,3,2-de]phthalazin-3-one [ACD/IUPAC Name]
3H-Pyrido[4,3,2-de]phthalazin-3-one, 5-fluoro-8-(4-fluorophenyl)-1,2,8,9-tetrahydro-9-(1-methyl-1H-1,2,4-triazol-5-yl)-, (8R,9S)- [ACD/Index Name]
1207456-00-5 [RN]
1207456-01-6 [RN]
BMN 673
BMN-673 8R,9S
Talazoparib [USAN] [Wiki]

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

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: 7
#H bond donors: 2
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 0
ACD/LogP: 1.51
ACD/LogD (pH 5.5): -0.42
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.96
ACD/LogD (pH 7.4): 0.80
ACD/BCF (pH 7.4): 1.67
ACD/KOC (pH 7.4): 32.81
Polar Surface Area: 84 Å2
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


Advertisement