ChemSpider 2D Image | 2,3-Dimethyl-6-phenyl-5,6-dihydro-4H-pyrrolo[1,2-a]thieno[3,2-f][1,4]diazepine | C18H18N2S

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

  • Molecular FormulaC18H18N2S
  • Average mass294.414 Da
  • Monoisotopic mass294.119080 Da
  • ChemSpider ID27444720

More details:

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

2,3-Dimethyl-6-phenyl-5,6-dihydro-4H-pyrrolo[1,2-a]thieno[3,2-f][1,4]diazepin [German] [ACD/IUPAC Name]
2,3-Dimethyl-6-phenyl-5,6-dihydro-4H-pyrrolo[1,2-a]thieno[3,2-f][1,4]diazepine [ACD/IUPAC Name]
2,3-Diméthyl-6-phényl-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-phenyl- [ACD/Index Name]
1170926-91-6 [RN]
2,3-Dimethyl-6-phenyl-5,6-dihydro-4H-pyrrolo-[1,2-a]thieno[3,2-f][1,4]diazepine
MFCD14282068 [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: 475.1±45.0 °C at 760 mmHg
    Vapour Pressure: 0.0±1.2 mmHg at 25°C
    Enthalpy of Vaporization: 73.9±3.0 kJ/mol
    Flash Point: 241.1±28.7 °C
    Index of Refraction: 1.683
    Molar Refractivity: 89.8±0.5 cm3
    #H bond acceptors: 2
    #H bond donors: 1
    #Freely Rotating Bonds: 1
    #Rule of 5 Violations: 0
    ACD/LogP: 3.97
    ACD/LogD (pH 5.5): 1.62
    ACD/BCF (pH 5.5): 3.39
    ACD/KOC (pH 5.5): 22.99
    ACD/LogD (pH 7.4): 3.24
    ACD/BCF (pH 7.4): 140.09
    ACD/KOC (pH 7.4): 950.74
    Polar Surface Area: 45 Å2
    Polarizability: 35.6±0.5 10-24cm3
    Surface Tension: 46.7±7.0 dyne/cm
    Molar Volume: 236.6±7.0 cm3

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