ChemSpider 2D Image | 4-[(7-Chloro-1,3-benzodioxol-5-yl)methyl]-1,4-diazepane-1-sulfonamide | C13H18ClN3O4S

4-[(7-Chloro-1,3-benzodioxol-5-yl)methyl]-1,4-diazepane-1-sulfonamide

  • Molecular FormulaC13H18ClN3O4S
  • Average mass347.818 Da
  • Monoisotopic mass347.070648 Da
  • ChemSpider ID30373212

More details:

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

1H-1,4-Diazepine-1-sulfonamide, 4-[(7-chloro-1,3-benzodioxol-5-yl)methyl]hexahydro- [ACD/Index Name]
4-[(7-Chlor-1,3-benzodioxol-5-yl)methyl]-1,4-diazepan-1-sulfonamid [German] [ACD/IUPAC Name]
4-[(7-Chloro-1,3-benzodioxol-5-yl)methyl]-1,4-diazepane-1-sulfonamide [ACD/IUPAC Name]
4-[(7-Chloro-1,3-benzodioxol-5-yl)méthyl]-1,4-diazépane-1-sulfonamide [French] [ACD/IUPAC Name]

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

Density: 1.5±0.1 g/cm3
Boiling Point: 504.8±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.3 mmHg at 25°C
Enthalpy of Vaporization: 77.4±3.0 kJ/mol
Flash Point: 259.1±32.9 °C
Index of Refraction: 1.661
Molar Refractivity: 83.6±0.4 cm3
#H bond acceptors: 7
#H bond donors: 2
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 0
ACD/LogP: 0.44
ACD/LogD (pH 5.5): -0.24
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 5.99
ACD/LogD (pH 7.4): 0.74
ACD/BCF (pH 7.4): 2.07
ACD/KOC (pH 7.4): 56.72
Polar Surface Area: 93 Å2
Polarizability: 33.1±0.5 10-24cm3
Surface Tension: 73.2±5.0 dyne/cm
Molar Volume: 226.1±5.0 cm3

Click to predict properties on the Chemicalize site


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