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Search term: C13H22N4O4S (Found by molecular formula)
ChemSpider 2D Image | 2-Ethoxy-1-{4-[(1-methyl-1H-pyrazol-4-yl)sulfonyl]-1,4-diazepan-1-yl}ethanone | C13H22N4O4S

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

  • Molecular FormulaC13H22N4O4S
  • Average mass330.403 Da
  • Monoisotopic mass330.136169 Da
  • ChemSpider ID34493853

More details:

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

2-Ethoxy-1-{4-[(1-methyl-1H-pyrazol-4-yl)sulfonyl]-1,4-diazepan-1-yl}ethanon [German] [ACD/IUPAC Name]
2-Ethoxy-1-{4-[(1-methyl-1H-pyrazol-4-yl)sulfonyl]-1,4-diazepan-1-yl}ethanone [ACD/IUPAC Name]
2-Éthoxy-1-{4-[(1-méthyl-1H-pyrazol-4-yl)sulfonyl]-1,4-diazépan-1-yl}éthanone [French] [ACD/IUPAC Name]
Ethanone, 2-ethoxy-1-[hexahydro-4-[(1-methyl-1H-pyrazol-4-yl)sulfonyl]-1H-1,4-diazepin-1-yl]- [ACD/Index Name]
2034543-05-8 [RN]
2-ethoxy-1-(4-((1-methyl-1H-pyrazol-4-yl)sulfonyl)-1,4-diazepan-1-yl)ethanone
2-ethoxy-1-{4-[(1-methyl-1H-pyrazol-4-yl)sulfonyl]-1,4-diazepan-1-yl}ethan-1-one

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

Density: 1.4±0.1 g/cm3
Boiling Point: 531.0±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.4 mmHg at 25°C
Enthalpy of Vaporization: 80.6±3.0 kJ/mol
Flash Point: 274.9±32.9 °C
Index of Refraction: 1.603
Molar Refractivity: 83.9±0.5 cm3
#H bond acceptors: 8
#H bond donors: 0
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 0
ACD/LogP: -0.03
ACD/LogD (pH 5.5): 0.13
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 28.16
ACD/LogD (pH 7.4): 0.13
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 28.16
Polar Surface Area: 93 Å2
Polarizability: 33.3±0.5 10-24cm3
Surface Tension: 53.2±7.0 dyne/cm
Molar Volume: 244.3±7.0 cm3

Click to predict properties on the Chemicalize site


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