ChemSpider 2D Image | 6-Methyl-7-(~2~H_3_)methyl-5-phenyl-3,7-dihydropyrrolo[3,4-e][1,4]diazepin-2(1H)-one | C15H12D3N3O

6-Methyl-7-(2H3)methyl-5-phenyl-3,7-dihydropyrrolo[3,4-e][1,4]diazepin-2(1H)-one

  • Molecular FormulaC15H12D3N3O
  • Average mass256.318 Da
  • Monoisotopic mass256.140350 Da
  • ChemSpider ID58794712

  • Non-standard isotope - Non-standard isotope

More details:

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

6-Methyl-7-(2H3)methyl-5-phenyl-3,7-dihydropyrrolo[3,4-e][1,4]diazepin-2(1H)-on [German] [ACD/IUPAC Name]
6-Methyl-7-(2H3)methyl-5-phenyl-3,7-dihydropyrrolo[3,4-e][1,4]diazepin-2(1H)-one [ACD/IUPAC Name]
6-Méthyl-7-(2H3)méthyl-5-phényl-3,7-dihydropyrrolo[3,4-e][1,4]diazépin-2(1H)-one [French] [ACD/IUPAC Name]
Pyrrolo[3,4-e]-1,4-diazepin-2(1H)-one, 3,7-dihydro-6-methyl-7-(methyl-d3)-5-phenyl- [ACD/Index 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: 451.9±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.1 mmHg at 25°C
Enthalpy of Vaporization: 71.1±3.0 kJ/mol
Flash Point: 227.1±28.7 °C
Index of Refraction: 1.651
Molar Refractivity: 74.6±0.5 cm3
#H bond acceptors: 4
#H bond donors: 1
#Freely Rotating Bonds: 1
#Rule of 5 Violations: 0
ACD/LogP: 1.54
ACD/LogD (pH 5.5): 1.89
ACD/BCF (pH 5.5): 15.90
ACD/KOC (pH 5.5): 250.82
ACD/LogD (pH 7.4): 1.89
ACD/BCF (pH 7.4): 16.19
ACD/KOC (pH 7.4): 255.37
Polar Surface Area: 46 Å2
Polarizability: 29.6±0.5 10-24cm3
Surface Tension: 46.4±7.0 dyne/cm
Molar Volume: 204.3±7.0 cm3

Click to predict properties on the Chemicalize site


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