ChemSpider 2D Image | Talazoparib | C19H14F2N6O

Talazoparib

  • Molecular FormulaC19H14F2N6O
  • Average mass380.351 Da
  • Monoisotopic mass380.119720 Da
  • ChemSpider ID35033298

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

(8S,9R)-5-Fluor-8-(4-fluorphenyl)-9-(1-methyl-1H-1,2,4-triazol-5-yl)-8,9-dihydro-1H-pyrido[4,3,2-de]phthalazin-3-ol [German] [ACD/IUPAC Name]
(8S,9R)-5-Fluoro-8-(4-fluorophényl)-9-(1-méthyl-1H-1,2,4-triazol-5-yl)-8,9-dihydro-1H-pyrido[4,3,2-de]phtalazin-3-ol [French] [ACD/IUPAC Name]
(8S,9R)-5-Fluoro-8-(4-fluorophenyl)-9-(1-methyl-1H-1,2,4-triazol-5-yl)-8,9-dihydro-1H-pyrido[4,3,2-de]phthalazin-3-ol [ACD/IUPAC Name]
1207456-01-6 [RN]
1H-Pyrido[4,3,2-de]phthalazin-3-ol, 5-fluoro-8-(4-fluorophenyl)-8,9-dihydro-9-(1-methyl-1H-1,2,4-triazol-5-yl)-, (8S,9R)- [ACD/Index Name]
Talazoparib [USAN] [Wiki]
(11S,12R)-7-fluoro-11-(4-fluorophenyl)-12-(2-methyl-1,2,4-triazol-3-yl)-2,3,10-triazatricyclo[7.3.1.05,13]trideca-1,5(13),6,8-tetraen-4-one
BMN 673
BMN-673
MFCD22666357

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

Density: 1.6±0.1 g/cm3
Boiling Point: 560.2±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.6 mmHg at 25°C
Enthalpy of Vaporization: 88.7±3.0 kJ/mol
Flash Point: 292.6±32.9 °C
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: 1.52
ACD/LogD (pH 5.5): -0.19
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 2.46
ACD/LogD (pH 7.4): 0.65
ACD/BCF (pH 7.4): 1.01
ACD/KOC (pH 7.4): 17.10
Polar Surface Area: 88 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


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