ChemSpider 2D Image | N-({5-[(1,1-Dioxido-7-phenyl-1,4-thiazepan-4-yl)sulfonyl]-2-thienyl}methyl)acetamide | C18H22N2O5S3

N-({5-[(1,1-Dioxido-7-phenyl-1,4-thiazepan-4-yl)sulfonyl]-2-thienyl}methyl)acetamide

  • Molecular FormulaC18H22N2O5S3
  • Average mass442.573 Da
  • Monoisotopic mass442.069092 Da
  • ChemSpider ID39185252

More details:

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

Acetamide, N-[[5-[(tetrahydro-1,1-dioxido-7-phenyl-1,4-thiazepin-4(5H)-yl)sulfonyl]-2-thienyl]methyl]- [ACD/Index Name]
N-({5-[(1,1-Dioxido-7-phenyl-1,4-thiazepan-4-yl)sulfonyl]-2-thienyl}methyl)acetamid [German] [ACD/IUPAC Name]
N-({5-[(1,1-Dioxido-7-phenyl-1,4-thiazepan-4-yl)sulfonyl]-2-thienyl}methyl)acetamide [ACD/IUPAC Name]
N-({5-[(1,1-Dioxydo-7-phényl-1,4-thiazépan-4-yl)sulfonyl]-2-thiényl}méthyl)acétamide [French] [ACD/IUPAC Name]
2034382-93-7 [RN]
N-((5-((1,1-dioxido-7-phenyl-1,4-thiazepan-4-yl)sulfonyl)thiophen-2-yl)methyl)acetamide
N-({5-[(1,1-dioxo-7-phenyl-1λ6,4-thiazepan-4-yl)sulfonyl]thiophen-2-yl}methyl)acetamide

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

Density: 1.4±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.607
Molar Refractivity: 109.9±0.4 cm3
#H bond acceptors: 7
#H bond donors: 1
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 0
ACD/LogP: 0.84
ACD/LogD (pH 5.5): 1.08
ACD/BCF (pH 5.5): 3.92
ACD/KOC (pH 5.5): 92.62
ACD/LogD (pH 7.4): 1.08
ACD/BCF (pH 7.4): 3.92
ACD/KOC (pH 7.4): 92.62
Polar Surface Area: 146 Å2
Polarizability: 43.6±0.5 10-24cm3
Surface Tension: 55.7±3.0 dyne/cm
Molar Volume: 318.0±3.0 cm3

Click to predict properties on the Chemicalize site


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