ChemSpider 2D Image | 1-[(2,5-Dimethoxyphenyl)sulfonyl]-4-(1-piperidinylsulfonyl)-1,4-diazepane | C18H29N3O6S2

1-[(2,5-Dimethoxyphenyl)sulfonyl]-4-(1-piperidinylsulfonyl)-1,4-diazepane

  • Molecular FormulaC18H29N3O6S2
  • Average mass447.569 Da
  • Monoisotopic mass447.149780 Da
  • ChemSpider ID62715709

More details:

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

1-[(2,5-Dimethoxyphenyl)sulfonyl]-4-(1-piperidinylsulfonyl)-1,4-diazepan [German] [ACD/IUPAC Name]
1-[(2,5-Dimethoxyphenyl)sulfonyl]-4-(1-piperidinylsulfonyl)-1,4-diazepane [ACD/IUPAC Name]
1-[(2,5-Diméthoxyphényl)sulfonyl]-4-(1-pipéridinylsulfonyl)-1,4-diazépane [French] [ACD/IUPAC Name]
1H-1,4-Diazepine, 1-[(2,5-dimethoxyphenyl)sulfonyl]hexahydro-4-(1-piperidinylsulfonyl)- [ACD/Index Name]
1-[(2,5-dimethoxyphenyl)sulfonyl]-4-(piperidin-1-ylsulfonyl)-1,4-diazepane

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

Density: 1.4±0.1 g/cm3
Boiling Point: 635.6±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.9 mmHg at 25°C
Enthalpy of Vaporization: 93.9±3.0 kJ/mol
Flash Point: 338.2±34.3 °C
Index of Refraction: 1.615
Molar Refractivity: 111.0±0.4 cm3
#H bond acceptors: 9
#H bond donors: 0
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 0
ACD/LogP: 1.17
ACD/LogD (pH 5.5): 1.41
ACD/BCF (pH 5.5): 6.93
ACD/KOC (pH 5.5): 139.10
ACD/LogD (pH 7.4): 1.41
ACD/BCF (pH 7.4): 6.93
ACD/KOC (pH 7.4): 139.10
Polar Surface Area: 113 Å2
Polarizability: 44.0±0.5 10-24cm3
Surface Tension: 64.4±5.0 dyne/cm
Molar Volume: 318.1±5.0 cm3

Click to predict properties on the Chemicalize site


Advertisement