ChemSpider 2D Image | 1-Methyl-5-phenyl-7-[(trimethylsilyl)ethynyl]-1,3-dihydro-2H-1,4-benzodiazepin-2-one | C21H22N2OSi

1-Methyl-5-phenyl-7-[(trimethylsilyl)ethynyl]-1,3-dihydro-2H-1,4-benzodiazepin-2-one

  • Molecular FormulaC21H22N2OSi
  • Average mass346.498 Da
  • Monoisotopic mass346.150146 Da
  • ChemSpider ID19871695

More details:

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

1-Methyl-5-phenyl-7-[(trimethylsilyl)ethinyl]-1,3-dihydro-2H-1,4-benzodiazepin-2-on [German] [ACD/IUPAC Name]
1-Methyl-5-phenyl-7-[(trimethylsilyl)ethynyl]-1,3-dihydro-2H-1,4-benzodiazepin-2-one [ACD/IUPAC Name]
1-Méthyl-5-phényl-7-[(triméthylsilyl)éthynyl]-1,3-dihydro-2H-1,4-benzodiazépin-2-one [French] [ACD/IUPAC Name]
2H-1,4-Benzodiazepin-2-one, 1,3-dihydro-1-methyl-5-phenyl-7-[2-(trimethylsilyl)ethynyl]- [ACD/Index Name]
1-Methyl-5-phenyl-7-trimethylsilanylethynyl-1,3-dihydro-benzo[e][1,4]diazepin-2-one
CHEMBL173347

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

Density: 1.0±0.1 g/cm3
Boiling Point: 501.3±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.3 mmHg at 25°C
Enthalpy of Vaporization: 77.0±3.0 kJ/mol
Flash Point: 257.0±30.1 °C
Index of Refraction: 1.561
Molar Refractivity: 107.9±0.5 cm3
#H bond acceptors: 3
#H bond donors: 0
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 0
ACD/LogP: 4.45
ACD/LogD (pH 5.5): 4.56
ACD/BCF (pH 5.5): 1716.88
ACD/KOC (pH 5.5): 7173.34
ACD/LogD (pH 7.4): 4.57
ACD/BCF (pH 7.4): 1734.88
ACD/KOC (pH 7.4): 7248.53
Polar Surface Area: 33 Å2
Polarizability: 42.8±0.5 10-24cm3
Surface Tension: 33.8±7.0 dyne/cm
Molar Volume: 333.5±7.0 cm3

Click to predict properties on the Chemicalize site


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