ChemSpider 2D Image | (R)-tert-Butyl (4-methyl-1-(1-methyl-4-nitro-1H-pyrazol-5-yl)-6-oxoazepan-4-yl)carbamate | C16H25N5O5

(R)-tert-Butyl (4-methyl-1-(1-methyl-4-nitro-1H-pyrazol-5-yl)-6-oxoazepan-4-yl)carbamate

  • Molecular FormulaC16H25N5O5
  • Average mass367.400 Da
  • Monoisotopic mass367.185577 Da
  • ChemSpider ID57386432

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

(R)-tert-Butyl (4-methyl-1-(1-methyl-4-nitro-1H-pyrazol-5-yl)-6-oxoazepan-4-yl)carbamate
[(4R)-4-Méthyl-1-(1-méthyl-4-nitro-1H-pyrazol-5-yl)-6-oxo-4-azépanyl]carbamate de 2-méthyl-2-propanyle [French] [ACD/IUPAC Name]
1956437-88-9 [RN]
2-Methyl-2-propanyl [(4R)-4-methyl-1-(1-methyl-4-nitro-1H-pyrazol-5-yl)-6-oxo-4-azepanyl]carbamate [ACD/IUPAC Name]
2-Methyl-2-propanyl-[(4R)-4-methyl-1-(1-methyl-4-nitro-1H-pyrazol-5-yl)-6-oxo-4-azepanyl]carbamat [German] [ACD/IUPAC Name]
Carbamic acid, N-[(4R)-hexahydro-4-methyl-1-(1-methyl-4-nitro-1H-pyrazol-5-yl)-6-oxo-1H-azepin-4-yl]-, 1,1-dimethylethyl ester [ACD/Index Name]
MFCD29920851

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

    Density: 1.3±0.1 g/cm3
    Boiling Point: 552.0±50.0 °C at 760 mmHg
    Vapour Pressure: 0.0±1.5 mmHg at 25°C
    Enthalpy of Vaporization: 83.2±3.0 kJ/mol
    Flash Point: 287.6±30.1 °C
    Index of Refraction: 1.595
    Molar Refractivity: 94.1±0.5 cm3
    #H bond acceptors: 10
    #H bond donors: 1
    #Freely Rotating Bonds: 5
    #Rule of 5 Violations: 1
    ACD/LogP: 1.88
    ACD/LogD (pH 5.5): 1.71
    ACD/BCF (pH 5.5): 11.72
    ACD/KOC (pH 5.5): 202.59
    ACD/LogD (pH 7.4): 1.71
    ACD/BCF (pH 7.4): 11.72
    ACD/KOC (pH 7.4): 202.59
    Polar Surface Area: 122 Å2
    Polarizability: 37.3±0.5 10-24cm3
    Surface Tension: 50.6±7.0 dyne/cm
    Molar Volume: 276.9±7.0 cm3

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