ChemSpider 2D Image | N-Acetyl-N-{1-[3-(4-nitro-1H-pyrazol-1-yl)propanoyl]-4-azepanyl}glycine | C16H23N5O6

N-Acetyl-N-{1-[3-(4-nitro-1H-pyrazol-1-yl)propanoyl]-4-azepanyl}glycine

  • Molecular FormulaC16H23N5O6
  • Average mass381.384 Da
  • Monoisotopic mass381.164825 Da
  • ChemSpider ID54516885

More details:

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

Glycine, N-acetyl-N-[hexahydro-1-[3-(4-nitro-1H-pyrazol-1-yl)-1-oxopropyl]-1H-azepin-4-yl]- [ACD/Index Name]
N-Acetyl-N-{1-[3-(4-nitro-1H-pyrazol-1-yl)propanoyl]-4-azepanyl}glycin [German] [ACD/IUPAC Name]
N-Acetyl-N-{1-[3-(4-nitro-1H-pyrazol-1-yl)propanoyl]-4-azepanyl}glycine [ACD/IUPAC Name]
N-Acétyl-N-{1-[3-(4-nitro-1H-pyrazol-1-yl)propanoyl]-4-azépanyl}glycine [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: 676.8±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.2 mmHg at 25°C
Enthalpy of Vaporization: 104.4±3.0 kJ/mol
Flash Point: 363.1±31.5 °C
Index of Refraction: 1.640
Molar Refractivity: 95.0±0.5 cm3
#H bond acceptors: 11
#H bond donors: 1
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 1
ACD/LogP: -0.19
ACD/LogD (pH 5.5): -2.42
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -3.71
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 142 Å2
Polarizability: 37.7±0.5 10-24cm3
Surface Tension: 63.7±7.0 dyne/cm
Molar Volume: 263.8±7.0 cm3

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