Found 246 results

Search term: MF = 'C_{27}H_{27}BrN_{4}O_{3}'
ChemSpider 2D Image | 3-Bromo-N'-[(E)-(4-methoxy-3-{[(1S,9S)-6-oxo-7,11-diazatricyclo[7.3.1.0~2,7~]trideca-2,4-dien-11-yl]methyl}phenyl)methylene]benzohydrazide | C27H27BrN4O3

3-Bromo-N'-[(E)-(4-methoxy-3-{[(1S,9S)-6-oxo-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-dien-11-yl]methyl}phenyl)methylene]benzohydrazide

  • Molecular FormulaC27H27BrN4O3
  • Average mass535.432 Da
  • Monoisotopic mass534.126648 Da
  • ChemSpider ID23717847

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 2 of 2 defined stereocentres

More details:

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

3-Brom-N'-[(E)-(4-methoxy-3-{[(1S,9S)-6-oxo-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-dien-11-yl]methyl}phenyl)methylen]benzohydrazid [German] [ACD/IUPAC Name]
3-Bromo-N'-[(E)-(4-methoxy-3-{[(1S,9S)-6-oxo-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-dien-11-yl]methyl}phenyl)methylene]benzohydrazide [ACD/IUPAC Name]
3-Bromo-N'-[(E)-(4-méthoxy-3-{[(1S,9S)-6-oxo-7,11-diazatricyclo[7.3.1.02,7]tridéca-2,4-dién-11-yl]méthyl}phényl)méthylène]benzohydrazide [French] [ACD/IUPAC Name]
Benzoic acid, 3-bromo-, 2-[(1E)-[4-methoxy-3-[[(1S,5S)-1,5,6,8-tetrahydro-8-oxo-1,5-methano-2H-pyrido[1,2-a][1,5]diazocin-3(4H)-yl]methyl]phenyl]methylene]hydrazide [ACD/Index Name]

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

Density: 1.5±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.678
Molar Refractivity: 138.7±0.5 cm3
#H bond acceptors: 7
#H bond donors: 1
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 1
ACD/LogP: 2.94
ACD/LogD (pH 5.5): 0.67
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 3.70
ACD/LogD (pH 7.4): 2.36
ACD/BCF (pH 7.4): 22.43
ACD/KOC (pH 7.4): 181.46
Polar Surface Area: 74 Å2
Polarizability: 55.0±0.5 10-24cm3
Surface Tension: 54.0±7.0 dyne/cm
Molar Volume: 367.9±7.0 cm3

Click to predict properties on the Chemicalize site


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