ChemSpider 2D Image | 1-[(3,5-Dimethyl-1,2-oxazol-4-yl)sulfonyl]-4-[(2-ethoxyethyl)sulfonyl]-1,4-diazepane | C14H25N3O6S2

1-[(3,5-Dimethyl-1,2-oxazol-4-yl)sulfonyl]-4-[(2-ethoxyethyl)sulfonyl]-1,4-diazepane

  • Molecular FormulaC14H25N3O6S2
  • Average mass395.495 Da
  • Monoisotopic mass395.118469 Da
  • ChemSpider ID78589863

More details:

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

1-[(3,5-Dimethyl-1,2-oxazol-4-yl)sulfonyl]-4-[(2-ethoxyethyl)sulfonyl]-1,4-diazepan [German] [ACD/IUPAC Name]
1-[(3,5-Dimethyl-1,2-oxazol-4-yl)sulfonyl]-4-[(2-ethoxyethyl)sulfonyl]-1,4-diazepane [ACD/IUPAC Name]
1-[(3,5-Diméthyl-1,2-oxazol-4-yl)sulfonyl]-4-[(2-éthoxyéthyl)sulfonyl]-1,4-diazépane [French] [ACD/IUPAC Name]
1H-1,4-Diazepine, 1-[(3,5-dimethyl-4-isoxazolyl)sulfonyl]-4-[(2-ethoxyethyl)sulfonyl]hexahydro- [ACD/Index 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: 572.0±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.6 mmHg at 25°C
Enthalpy of Vaporization: 85.8±3.0 kJ/mol
Flash Point: 299.7±32.9 °C
Index of Refraction: 1.570
Molar Refractivity: 93.1±0.4 cm3
#H bond acceptors: 9
#H bond donors: 0
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 0
ACD/LogP: 0.67
ACD/LogD (pH 5.5): 0.75
ACD/BCF (pH 5.5): 2.19
ACD/KOC (pH 5.5): 60.93
ACD/LogD (pH 7.4): 0.75
ACD/BCF (pH 7.4): 2.19
ACD/KOC (pH 7.4): 60.93
Polar Surface Area: 127 Å2
Polarizability: 36.9±0.5 10-24cm3
Surface Tension: 61.5±5.0 dyne/cm
Molar Volume: 283.7±5.0 cm3

Click to predict properties on the Chemicalize site


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