ChemSpider 2D Image | 1-(Ethoxyacetyl)-4-(methylsulfonyl)-1,4-diazepane-6-carboxamide | C11H21N3O5S

1-(Ethoxyacetyl)-4-(methylsulfonyl)-1,4-diazepane-6-carboxamide

  • Molecular FormulaC11H21N3O5S
  • Average mass307.366 Da
  • Monoisotopic mass307.120178 Da
  • ChemSpider ID29955204

More details:

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

1-(2-Éthoxyacétyl)-4-(méthylsulfonyl)-1,4-diazépane-6-carboxamide [French] [ACD/IUPAC Name]
1-(Ethoxyacetyl)-4-(methylsulfonyl)-1,4-diazepan-6-carboxamid [German] [ACD/IUPAC Name]
1-(Ethoxyacetyl)-4-(methylsulfonyl)-1,4-diazepane-6-carboxamide [ACD/IUPAC Name]
1H-1,4-Diazepine-6-carboxamide, 1-(2-ethoxyacetyl)hexahydro-4-(methylsulfonyl)- [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: 563.6±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.5 mmHg at 25°C
Enthalpy of Vaporization: 84.7±3.0 kJ/mol
Flash Point: 294.6±32.9 °C
Index of Refraction: 1.551
Molar Refractivity: 73.1±0.4 cm3
#H bond acceptors: 8
#H bond donors: 2
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 0
ACD/LogP: -1.73
ACD/LogD (pH 5.5): -1.41
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 4.06
ACD/LogD (pH 7.4): -1.41
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 4.06
Polar Surface Area: 118 Å2
Polarizability: 29.0±0.5 10-24cm3
Surface Tension: 58.0±5.0 dyne/cm
Molar Volume: 229.0±5.0 cm3

Click to predict properties on the Chemicalize site


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