ChemSpider 2D Image | (7S)-7-(4-Bromophenyl)-5-(4-fluorophenyl)-6,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidine | C17H12BrFN4

(7S)-7-(4-Bromophenyl)-5-(4-fluorophenyl)-6,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidine

  • Molecular FormulaC17H12BrFN4
  • Average mass371.206 Da
  • Monoisotopic mass370.022919 Da
  • ChemSpider ID62295136

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

(7S)-7-(4-Bromophenyl)-5-(4-fluorophenyl)-6,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidine [ACD/IUPAC Name]
(7S)-7-(4-Bromophényl)-5-(4-fluorophényl)-6,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidine [French] [ACD/IUPAC Name]
(7S)-7-(4-Bromphenyl)-5-(4-fluorphenyl)-6,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidin [German] [ACD/IUPAC Name]
[1,2,4]Triazolo[1,5-a]pyrimidine, 7-(4-bromophenyl)-5-(4-fluorophenyl)-6,7-dihydro-, (7S)- [ACD/Index Name]

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

Density: 1.6±0.1 g/cm3
Boiling Point: 522.4±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.4 mmHg at 25°C
Enthalpy of Vaporization: 79.6±3.0 kJ/mol
Flash Point: 269.7±32.9 °C
Index of Refraction: 1.714
Molar Refractivity: 91.2±0.5 cm3
#H bond acceptors: 4
#H bond donors: 0
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 0
ACD/LogP: 2.88
ACD/LogD (pH 5.5): 3.20
ACD/BCF (pH 5.5): 159.49
ACD/KOC (pH 5.5): 1309.81
ACD/LogD (pH 7.4): 3.21
ACD/BCF (pH 7.4): 160.91
ACD/KOC (pH 7.4): 1321.52
Polar Surface Area: 43 Å2
Polarizability: 36.2±0.5 10-24cm3
Surface Tension: 53.4±7.0 dyne/cm
Molar Volume: 232.6±7.0 cm3

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