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Search term: BLKLDLGNKQQCBX-XQNSMLJCSA-N (Found by InChIKey (full match))
ChemSpider 2D Image | Ethyl (5E)-8-bromo-5-(carbamoylhydrazono)-2-[(dimethylamino)methyl]-3-methyl-4-oxo-4,5-dihydro-3H-benzo[e]indole-1-carboxylate | C20H22BrN5O4

Ethyl (5E)-8-bromo-5-(carbamoylhydrazono)-2-[(dimethylamino)methyl]-3-methyl-4-oxo-4,5-dihydro-3H-benzo[e]indole-1-carboxylate

  • Molecular FormulaC20H22BrN5O4
  • Average mass476.324 Da
  • Monoisotopic mass475.085510 Da
  • ChemSpider ID22934488

  • Double-bond stereo - Double-bond stereo

More details:

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

(5E)-8-Bromo-5-(carbamoylhydrazono)-2-[(diméthylamino)méthyl]-3-méthyl-4-oxo-4,5-dihydro-3H-benzo[e]indole-1-carboxylate d'éthyle [French] [ACD/IUPAC Name]
3H-Benz[e]indole-1-carboxylic acid, 5-[2-(aminocarbonyl)hydrazinylidene]-8-bromo-2-[(dimethylamino)methyl]-4,5-dihydro-3-methyl-4-oxo-, ethyl ester, (5E)- [ACD/Index Name]
Ethyl (5E)-8-bromo-5-(carbamoylhydrazono)-2-[(dimethylamino)methyl]-3-methyl-4-oxo-4,5-dihydro-3H-benzo[e]indole-1-carboxylate [ACD/IUPAC Name]
Ethyl-(5E)-8-brom-5-(carbamoylhydrazono)-2-[(dimethylamino)methyl]-3-methyl-4-oxo-4,5-dihydro-3H-benzo[e]indol-1-carboxylat [German] [ACD/IUPAC Name]
ETHYL (5E)-8-BROMO-5-[(CARBAMOYLAMINO)IMINO]-2-[(DIMETHYLAMINO)METHYL]-3-METHYL-4-OXOBENZO[E]INDOLE-1-CARBOXYLATE

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

Density: 1.6±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.672
Molar Refractivity: 113.8±0.5 cm3
#H bond acceptors: 9
#H bond donors: 3
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 0
ACD/LogP: 2.04
ACD/LogD (pH 5.5): -0.13
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.21
ACD/LogD (pH 7.4): 1.51
ACD/BCF (pH 7.4): 4.57
ACD/KOC (pH 7.4): 51.57
Polar Surface Area: 119 Å2
Polarizability: 45.1±0.5 10-24cm3
Surface Tension: 54.7±7.0 dyne/cm
Molar Volume: 304.0±7.0 cm3

Click to predict properties on the Chemicalize site


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