ChemSpider 2D Image | 1-[(3,5-Dimethyl-1H-pyrazol-4-yl)sulfonyl]-4-(2-thienylsulfonyl)-1,4-diazepane | C14H20N4O4S3

1-[(3,5-Dimethyl-1H-pyrazol-4-yl)sulfonyl]-4-(2-thienylsulfonyl)-1,4-diazepane

  • Molecular FormulaC14H20N4O4S3
  • Average mass404.528 Da
  • Monoisotopic mass404.064667 Da
  • ChemSpider ID39506500

More details:

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

1-[(3,5-Dimethyl-1H-pyrazol-4-yl)sulfonyl]-4-(2-thienylsulfonyl)-1,4-diazepan [German] [ACD/IUPAC Name]
1-[(3,5-Dimethyl-1H-pyrazol-4-yl)sulfonyl]-4-(2-thienylsulfonyl)-1,4-diazepane [ACD/IUPAC Name]
1-[(3,5-Diméthyl-1H-pyrazol-4-yl)sulfonyl]-4-(2-thiénylsulfonyl)-1,4-diazépane [French] [ACD/IUPAC Name]
1H-1,4-Diazepine, 1-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]hexahydro-4-(2-thienylsulfonyl)- [ACD/Index Name]
1-((3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl)-4-(thiophen-2-ylsulfonyl)-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: 648.9±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.9 mmHg at 25°C
Enthalpy of Vaporization: 95.7±3.0 kJ/mol
Flash Point: 346.2±34.3 °C
Index of Refraction: 1.626
Molar Refractivity: 97.1±0.4 cm3
#H bond acceptors: 8
#H bond donors: 1
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 0
ACD/LogP: 2.15
ACD/LogD (pH 5.5): 1.86
ACD/BCF (pH 5.5): 15.29
ACD/KOC (pH 5.5): 245.10
ACD/LogD (pH 7.4): 1.86
ACD/BCF (pH 7.4): 15.29
ACD/KOC (pH 7.4): 245.16
Polar Surface Area: 148 Å2
Polarizability: 38.5±0.5 10-24cm3
Surface Tension: 64.8±3.0 dyne/cm
Molar Volume: 274.4±3.0 cm3

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