ChemSpider 2D Image | 1-{4-[(1-Methyl-1H-pyrazol-4-yl)sulfonyl]-1,4-diazepan-1-yl}ethanone | C11H18N4O3S

1-{4-[(1-Methyl-1H-pyrazol-4-yl)sulfonyl]-1,4-diazepan-1-yl}ethanone

  • Molecular FormulaC11H18N4O3S
  • Average mass286.351 Da
  • Monoisotopic mass286.109955 Da
  • ChemSpider ID26071124

More details:

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

1-{4-[(1-Methyl-1H-pyrazol-4-yl)sulfonyl]-1,4-diazepan-1-yl}ethanon [German] [ACD/IUPAC Name]
1-{4-[(1-Methyl-1H-pyrazol-4-yl)sulfonyl]-1,4-diazepan-1-yl}ethanone [ACD/IUPAC Name]
1-{4-[(1-Méthyl-1H-pyrazol-4-yl)sulfonyl]-1,4-diazépan-1-yl}éthanone [French] [ACD/IUPAC Name]
Ethanone, 1-[hexahydro-4-[(1-methyl-1H-pyrazol-4-yl)sulfonyl]-1H-1,4-diazepin-1-yl]- [ACD/Index Name]
1-(4-((1-methyl-1H-pyrazol-4-yl)sulfonyl)-1,4-diazepan-1-yl)ethanone
1-{4-[(1-methyl-1H-pyrazol-4-yl)sulfonyl]-1,4-diazepan-1-yl}ethan-1-one
1197698-75-1 [RN]

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

Density: 1.4±0.1 g/cm3
Boiling Point: 509.2±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.3 mmHg at 25°C
Enthalpy of Vaporization: 78.0±3.0 kJ/mol
Flash Point: 261.7±32.9 °C
Index of Refraction: 1.631
Molar Refractivity: 73.3±0.5 cm3
#H bond acceptors: 7
#H bond donors: 0
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 0
ACD/LogP: -0.41
ACD/LogD (pH 5.5): -0.19
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 18.74
ACD/LogD (pH 7.4): -0.19
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 18.74
Polar Surface Area: 84 Å2
Polarizability: 29.1±0.5 10-24cm3
Surface Tension: 56.3±7.0 dyne/cm
Molar Volume: 205.7±7.0 cm3

Click to predict properties on the Chemicalize site


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