ChemSpider 2D Image | 1-[(1-Ethyl-1H-pyrazol-4-yl)methyl]-4-[(1-methylcyclopropyl)sulfonyl]-1,4-diazepane | C15H26N4O2S

1-[(1-Ethyl-1H-pyrazol-4-yl)methyl]-4-[(1-methylcyclopropyl)sulfonyl]-1,4-diazepane

  • Molecular FormulaC15H26N4O2S
  • Average mass326.457 Da
  • Monoisotopic mass326.177643 Da
  • ChemSpider ID63438708

More details:

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

1-[(1-Ethyl-1H-pyrazol-4-yl)methyl]-4-[(1-methylcyclopropyl)sulfonyl]-1,4-diazepan [German] [ACD/IUPAC Name]
1-[(1-Ethyl-1H-pyrazol-4-yl)methyl]-4-[(1-methylcyclopropyl)sulfonyl]-1,4-diazepane [ACD/IUPAC Name]
1-[(1-Éthyl-1H-pyrazol-4-yl)méthyl]-4-[(1-méthylcyclopropyl)sulfonyl]-1,4-diazépane [French] [ACD/IUPAC Name]
1H-1,4-Diazepine, 1-[(1-ethyl-1H-pyrazol-4-yl)methyl]hexahydro-4-[(1-methylcyclopropyl)sulfonyl]- [ACD/Index Name]

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

Density: 1.3±0.1 g/cm3
Boiling Point: 461.6±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.1 mmHg at 25°C
Enthalpy of Vaporization: 72.2±3.0 kJ/mol
Flash Point: 233.0±31.5 °C
Index of Refraction: 1.631
Molar Refractivity: 88.9±0.5 cm3
#H bond acceptors: 6
#H bond donors: 0
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 0
ACD/LogP: 0.98
ACD/LogD (pH 5.5): 0.59
ACD/BCF (pH 5.5): 1.05
ACD/KOC (pH 5.5): 20.98
ACD/LogD (pH 7.4): 1.39
ACD/BCF (pH 7.4): 6.58
ACD/KOC (pH 7.4): 131.40
Polar Surface Area: 67 Å2
Polarizability: 35.2±0.5 10-24cm3
Surface Tension: 52.6±7.0 dyne/cm
Molar Volume: 249.6±7.0 cm3

Click to predict properties on the Chemicalize site


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