ChemSpider 2D Image | 5-(4-Fluorobenzyl)-N-[2-(4-methyl-1-piperazinyl)ethyl]-4-oxo-5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a][1,4]diazepine-2-carboxamide | C22H29FN6O2

5-(4-Fluorobenzyl)-N-[2-(4-methyl-1-piperazinyl)ethyl]-4-oxo-5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a][1,4]diazepine-2-carboxamide

  • Molecular FormulaC22H29FN6O2
  • Average mass428.503 Da
  • Monoisotopic mass428.233612 Da
  • ChemSpider ID29070600

More details:

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

4H-Pyrazolo[1,5-a][1,4]diazepine-2-carboxamide, 5-[(4-fluorophenyl)methyl]-5,6,7,8-tetrahydro-N-[2-(4-methyl-1-piperazinyl)ethyl]-4-oxo- [ACD/Index Name]
5-(4-Fluorbenzyl)-N-[2-(4-methyl-1-piperazinyl)ethyl]-4-oxo-5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a][1,4]diazepin-2-carboxamid [German] [ACD/IUPAC Name]
5-(4-Fluorobenzyl)-N-[2-(4-methyl-1-piperazinyl)ethyl]-4-oxo-5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a][1,4]diazepine-2-carboxamide [ACD/IUPAC Name]
5-(4-Fluorobenzyl)-N-[2-(4-méthyl-1-pipérazinyl)éthyl]-4-oxo-5,6,7,8-tétrahydro-4H-pyrazolo[1,5-a][1,4]diazépine-2-carboxamide [French] [ACD/IUPAC Name]
5-(4-fluorobenzyl)-N-[2-(4-methylpiperazin-1-yl)ethyl]-4-oxo-5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a][1,4]diazepine-2-carboxamide

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

Density: 1.3±0.1 g/cm3
Boiling Point: 666.0±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.0 mmHg at 25°C
Enthalpy of Vaporization: 97.9±3.0 kJ/mol
Flash Point: 356.6±31.5 °C
Index of Refraction: 1.648
Molar Refractivity: 117.1±0.5 cm3
#H bond acceptors: 8
#H bond donors: 1
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 0
ACD/LogP: -2.07
ACD/LogD (pH 5.5): -2.23
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -0.57
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 7.43
Polar Surface Area: 74 Å2
Polarizability: 46.4±0.5 10-24cm3
Surface Tension: 52.2±7.0 dyne/cm
Molar Volume: 321.6±7.0 cm3

Click to predict properties on the Chemicalize site


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