ChemSpider 2D Image | 1-[(1-Methyl-1H-pyrazol-4-yl)sulfonyl]-4-[(5-methyl-2-thienyl)sulfonyl]-1,4-diazepane | C14H20N4O4S3

1-[(1-Methyl-1H-pyrazol-4-yl)sulfonyl]-4-[(5-methyl-2-thienyl)sulfonyl]-1,4-diazepane

  • Molecular FormulaC14H20N4O4S3
  • Average mass404.528 Da
  • Monoisotopic mass404.064667 Da
  • ChemSpider ID39506103

More details:

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

1-[(1-Methyl-1H-pyrazol-4-yl)sulfonyl]-4-[(5-methyl-2-thienyl)sulfonyl]-1,4-diazepan [German] [ACD/IUPAC Name]
1-[(1-Methyl-1H-pyrazol-4-yl)sulfonyl]-4-[(5-methyl-2-thienyl)sulfonyl]-1,4-diazepane [ACD/IUPAC Name]
1-[(1-Méthyl-1H-pyrazol-4-yl)sulfonyl]-4-[(5-méthyl-2-thiényl)sulfonyl]-1,4-diazépane [French] [ACD/IUPAC Name]
1H-1,4-Diazepine, hexahydro-1-[(1-methyl-1H-pyrazol-4-yl)sulfonyl]-4-[(5-methyl-2-thienyl)sulfonyl]- [ACD/Index Name]
1-((1-methyl-1H-pyrazol-4-yl)sulfonyl)-4-((5-methylthiophen-2-yl)sulfonyl)-1,4-diazepane

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

Density: 1.5±0.1 g/cm3
Boiling Point: 612.6±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.8 mmHg at 25°C
Enthalpy of Vaporization: 90.9±3.0 kJ/mol
Flash Point: 324.3±34.3 °C
Index of Refraction: 1.697
Molar Refractivity: 101.3±0.5 cm3
#H bond acceptors: 8
#H bond donors: 0
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 0
ACD/LogP: 1.54
ACD/LogD (pH 5.5): 1.44
ACD/BCF (pH 5.5): 7.32
ACD/KOC (pH 5.5): 144.63
ACD/LogD (pH 7.4): 1.44
ACD/BCF (pH 7.4): 7.32
ACD/KOC (pH 7.4): 144.63
Polar Surface Area: 138 Å2
Polarizability: 40.2±0.5 10-24cm3
Surface Tension: 66.0±7.0 dyne/cm
Molar Volume: 262.9±7.0 cm3

Click to predict properties on the Chemicalize site


Advertisement