ChemSpider 2D Image | 10-[4-(Diethylamino)phenyl]-3,4,9,10-tetrahydrobenzo[b]cyclopenta[e][1,4]diazepin-1(2H)-one | C22H25N3O

10-[4-(Diethylamino)phenyl]-3,4,9,10-tetrahydrobenzo[b]cyclopenta[e][1,4]diazepin-1(2H)-one

  • Molecular FormulaC22H25N3O
  • Average mass347.453 Da
  • Monoisotopic mass347.199768 Da
  • ChemSpider ID28611845

More details:

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

10-[4-(Diethylamino)phenyl]-3,4,9,10-tetrahydrobenzo[b]cyclopenta[e][1,4]diazepin-1(2H)-on [German] [ACD/IUPAC Name]
10-[4-(Diethylamino)phenyl]-3,4,9,10-tetrahydrobenzo[b]cyclopenta[e][1,4]diazepin-1(2H)-one [ACD/IUPAC Name]
10-[4-(Diéthylamino)phényl]-3,4,9,10-tétrahydrobenzo[b]cyclopenta[e][1,4]diazépin-1(2H)-one [French] [ACD/IUPAC Name]
Benzo[b]cyclopenta[e][1,4]diazepin-1(2H)-one, 10-[4-(diethylamino)phenyl]-3,4,9,10-tetrahydro- [ACD/Index Name]
10-(4-(Diethylamino)phenyl)-2,3,9,10-tetrahydrobenzo[b]cyclopenta[e][1,4]diazepin-1(4H)-one
10-(4-Diethylamino-phenyl)-3,4,9,10-tetrahydro-2H-benzo[b]cyclopenta[f][1,4]diazepin-1-one
10-[4-(Diethylamino)phenyl]-3,4,9,10-tetrahydro-benzo[b]cyclopenta[e][1,4]diazepin-1(2H)-one
1374509-51-9 [RN]
4-[4-(diethylamino)phenyl]-2,4,5,10-tetrahydro-1H-cyclopenta[c][1,5]benzodiazepin-3-one
MFCD22374928 [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: 554.7±50.0 °C at 760 mmHg
    Vapour Pressure: 0.0±1.5 mmHg at 25°C
    Enthalpy of Vaporization: 83.6±3.0 kJ/mol
    Flash Point: 289.3±30.1 °C
    Index of Refraction: 1.647
    Molar Refractivity: 104.4±0.4 cm3
    #H bond acceptors: 4
    #H bond donors: 2
    #Freely Rotating Bonds: 4
    #Rule of 5 Violations: 0
    ACD/LogP: 3.05
    ACD/LogD (pH 5.5): 2.24
    ACD/BCF (pH 5.5): 17.10
    ACD/KOC (pH 5.5): 137.16
    ACD/LogD (pH 7.4): 3.21
    ACD/BCF (pH 7.4): 157.21
    ACD/KOC (pH 7.4): 1260.71
    Polar Surface Area: 44 Å2
    Polarizability: 41.4±0.5 10-24cm3
    Surface Tension: 54.9±5.0 dyne/cm
    Molar Volume: 287.2±5.0 cm3

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