Found 118 results

Search term: MF = 'C_{28}H_{28}N_{4}'
ChemSpider 2D Image | 7-(9H-Fluoren-2-ylmethyl)-3-(2-phenylethyl)-6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-d][1,4]diazepine | C28H28N4

7-(9H-Fluoren-2-ylmethyl)-3-(2-phenylethyl)-6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-d][1,4]diazepine

  • Molecular FormulaC28H28N4
  • Average mass420.549 Da
  • Monoisotopic mass420.231384 Da
  • ChemSpider ID22202727

More details:

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

5H-1,2,4-Triazolo[4,3-d][1,4]diazepine, 7-(9H-fluoren-2-ylmethyl)-6,7,8,9-tetrahydro-3-(2-phenylethyl)- [ACD/Index Name]
7-(9H-Fluoren-2-ylmethyl)-3-(2-phenylethyl)-6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-d][1,4]diazepin [German] [ACD/IUPAC Name]
7-(9H-Fluoren-2-ylmethyl)-3-(2-phenylethyl)-6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-d][1,4]diazepine [ACD/IUPAC Name]
7-(9H-Fluorén-2-ylméthyl)-3-(2-phényléthyl)-6,7,8,9-tétrahydro-5H-[1,2,4]triazolo[4,3-d][1,4]diazépine [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: 644.9±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.9 mmHg at 25°C
Enthalpy of Vaporization: 95.1±3.0 kJ/mol
Flash Point: 343.8±34.3 °C
Index of Refraction: 1.685
Molar Refractivity: 130.3±0.5 cm3
#H bond acceptors: 4
#H bond donors: 0
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 1
ACD/LogP: 5.21
ACD/LogD (pH 5.5): 3.58
ACD/BCF (pH 5.5): 155.70
ACD/KOC (pH 5.5): 577.03
ACD/LogD (pH 7.4): 4.73
ACD/BCF (pH 7.4): 2198.30
ACD/KOC (pH 7.4): 8147.08
Polar Surface Area: 34 Å2
Polarizability: 51.7±0.5 10-24cm3
Surface Tension: 50.6±7.0 dyne/cm
Molar Volume: 342.9±7.0 cm3

Click to predict properties on the Chemicalize site


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