ChemSpider 2D Image | 2,3-Dimethyl-6-(4-methylphenyl)-5,6-dihydro-4H-pyrrolo[1,2-a]thieno[3,2-f][1,4]diazepine | C19H20N2S

2,3-Dimethyl-6-(4-methylphenyl)-5,6-dihydro-4H-pyrrolo[1,2-a]thieno[3,2-f][1,4]diazepine

  • Molecular FormulaC19H20N2S
  • Average mass308.440 Da
  • Monoisotopic mass308.134705 Da
  • ChemSpider ID27444719

More details:

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

2,3-Dimethyl-6-(4-methylphenyl)-5,6-dihydro-4H-pyrrolo[1,2-a]thieno[3,2-f][1,4]diazepin [German] [ACD/IUPAC Name]
2,3-Dimethyl-6-(4-methylphenyl)-5,6-dihydro-4H-pyrrolo[1,2-a]thieno[3,2-f][1,4]diazepine [ACD/IUPAC Name]
2,3-Diméthyl-6-(4-méthylphényl)-5,6-dihydro-4H-pyrrolo[1,2-a]thiéno[3,2-f][1,4]diazépine [French] [ACD/IUPAC Name]
4H-Pyrrolo[1,2-a]thieno[3,2-f][1,4]diazepine, 5,6-dihydro-2,3-dimethyl-6-(4-methylphenyl)- [ACD/Index Name]
1170010-23-7 [RN]
2,3-dimethyl-6-(p-tolyl)-5,6-dihydro-4H-pyrrolo[1,2-a]thieno[3,2-f][1,4]diazepine
4H-pyrrolo[1,2-a]thieno[3,2-f][1,4]diazepine, 5,6-dihydro-2,3-dimethyl-6-(4-methylphenyl)
MFCD14282066 [MDL number]

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

    Density: 1.2±0.1 g/cm3
    Boiling Point: 488.5±45.0 °C at 760 mmHg
    Vapour Pressure: 0.0±1.2 mmHg at 25°C
    Enthalpy of Vaporization: 75.5±3.0 kJ/mol
    Flash Point: 249.2±28.7 °C
    Index of Refraction: 1.671
    Molar Refractivity: 94.2±0.5 cm3
    #H bond acceptors: 2
    #H bond donors: 1
    #Freely Rotating Bonds: 1
    #Rule of 5 Violations: 0
    ACD/LogP: 4.43
    ACD/LogD (pH 5.5): 2.04
    ACD/BCF (pH 5.5): 6.58
    ACD/KOC (pH 5.5): 34.37
    ACD/LogD (pH 7.4): 3.69
    ACD/BCF (pH 7.4): 297.94
    ACD/KOC (pH 7.4): 1555.94
    Polar Surface Area: 45 Å2
    Polarizability: 37.3±0.5 10-24cm3
    Surface Tension: 44.3±7.0 dyne/cm
    Molar Volume: 251.8±7.0 cm3

    Click to predict properties on the Chemicalize site


    Advertisement