ChemSpider 2D Image | N-{2-[(4S)-4-(2-Methyl-2-propanyl)-4,5-dihydro-1,3-oxazol-2-yl]phenyl}-5,6-diphenyl-1,2,4-triazin-3-amine | C28H27N5O

N-{2-[(4S)-4-(2-Methyl-2-propanyl)-4,5-dihydro-1,3-oxazol-2-yl]phenyl}-5,6-diphenyl-1,2,4-triazin-3-amine

  • Molecular FormulaC28H27N5O
  • Average mass449.547 Da
  • Monoisotopic mass449.221558 Da
  • ChemSpider ID30656559

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

1,2,4-Triazin-3-amine, N-[2-[(4S)-4-(1,1-dimethylethyl)-4,5-dihydro-2-oxazolyl]phenyl]-5,6-diphenyl- [ACD/Index Name]
N-{2-[(4S)-4-(2-Methyl-2-propanyl)-4,5-dihydro-1,3-oxazol-2-yl]phenyl}-5,6-diphenyl-1,2,4-triazin-3-amin [German] [ACD/IUPAC Name]
N-{2-[(4S)-4-(2-Methyl-2-propanyl)-4,5-dihydro-1,3-oxazol-2-yl]phenyl}-5,6-diphenyl-1,2,4-triazin-3-amine [ACD/IUPAC Name]
N-{2-[(4S)-4-(2-Méthyl-2-propanyl)-4,5-dihydro-1,3-oxazol-2-yl]phényl}-5,6-diphényl-1,2,4-triazin-3-amine [French] [ACD/IUPAC Name]

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

Density: 1.2±0.1 g/cm3
Boiling Point: 622.6±57.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.8 mmHg at 25°C
Enthalpy of Vaporization: 92.2±3.0 kJ/mol
Flash Point: 330.3±32.1 °C
Index of Refraction: 1.646
Molar Refractivity: 135.5±0.5 cm3
#H bond acceptors: 6
#H bond donors: 1
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 0
ACD/LogP: 4.93
ACD/LogD (pH 5.5): 5.17
ACD/BCF (pH 5.5): 4940.40
ACD/KOC (pH 5.5): 15097.30
ACD/LogD (pH 7.4): 5.19
ACD/BCF (pH 7.4): 5211.86
ACD/KOC (pH 7.4): 15926.85
Polar Surface Area: 72 Å2
Polarizability: 53.7±0.5 10-24cm3
Surface Tension: 46.0±7.0 dyne/cm
Molar Volume: 373.1±7.0 cm3

Click to predict properties on the Chemicalize site


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