ChemSpider 2D Image | N'-(5-Bromo-2-cyano-4-pyrimidinyl)-N'-[(1R,2R)-2-methylcyclopentyl]-4-[(4-methyl-1-piperazinyl)methyl]benzohydrazide | C24H30BrN7O

N'-(5-Bromo-2-cyano-4-pyrimidinyl)-N'-[(1R,2R)-2-methylcyclopentyl]-4-[(4-methyl-1-piperazinyl)methyl]benzohydrazide

  • Molecular FormulaC24H30BrN7O
  • Average mass512.445 Da
  • Monoisotopic mass511.169525 Da
  • ChemSpider ID25045938

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

Benzoic acid, 4-[(4-methyl-1-piperazinyl)methyl]-, 2-(5-bromo-2-cyano-4-pyrimidinyl)-2-[(1R,2R)-2-methylcyclopentyl]hydrazide [ACD/Index Name]
N'-(5-Brom-2-cyan-4-pyrimidinyl)-N'-[(1R,2R)-2-methylcyclopentyl]-4-[(4-methyl-1-piperazinyl)methyl]benzohydrazid [German] [ACD/IUPAC Name]
N'-(5-Bromo-2-cyano-4-pyrimidinyl)-N'-[(1R,2R)-2-methylcyclopentyl]-4-[(4-methyl-1-piperazinyl)methyl]benzohydrazide [ACD/IUPAC Name]
N'-(5-Bromo-2-cyano-4-pyrimidinyl)-N'-[(1R,2R)-2-méthylcyclopentyl]-4-[(4-méthyl-1-pipérazinyl)méthyl]benzohydrazide [French] [ACD/IUPAC Name]

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

Density: 1.4±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.655
Molar Refractivity: 130.8±0.4 cm3
#H bond acceptors: 8
#H bond donors: 1
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 1
ACD/LogP: 2.33
ACD/LogD (pH 5.5): 0.28
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 4.04
ACD/LogD (pH 7.4): 1.91
ACD/BCF (pH 7.4): 13.56
ACD/KOC (pH 7.4): 174.83
Polar Surface Area: 88 Å2
Polarizability: 51.9±0.5 10-24cm3
Surface Tension: 71.3±5.0 dyne/cm
Molar Volume: 356.5±5.0 cm3

Click to predict properties on the Chemicalize site


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