Found 121 results

Search term: MF = 'C_{18}H_{26}N_{4}O_{6}S_{2}'
ChemSpider 2D Image | 1-[(2,4-Dimethoxyphenyl)sulfonyl]-4-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]-1,4-diazepane | C18H26N4O6S2

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

  • Molecular FormulaC18H26N4O6S2
  • Average mass458.552 Da
  • Monoisotopic mass458.129364 Da
  • ChemSpider ID39506553

More details:

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

1-[(2,4-Dimethoxyphenyl)sulfonyl]-4-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]-1,4-diazepan [German] [ACD/IUPAC Name]
1-[(2,4-Dimethoxyphenyl)sulfonyl]-4-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]-1,4-diazepane [ACD/IUPAC Name]
1-[(2,4-Diméthoxyphényl)sulfonyl]-4-[(3,5-diméthyl-1H-pyrazol-4-yl)sulfonyl]-1,4-diazépane [French] [ACD/IUPAC Name]
1H-1,4-Diazepine, 1-[(2,4-dimethoxyphenyl)sulfonyl]-4-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]hexahydro- [ACD/Index Name]
1-((2,4-dimethoxyphenyl)sulfonyl)-4-((3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl)-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: 693.8±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.2 mmHg at 25°C
Enthalpy of Vaporization: 101.6±3.0 kJ/mol
Flash Point: 373.4±34.3 °C
Index of Refraction: 1.586
Molar Refractivity: 111.7±0.4 cm3
#H bond acceptors: 10
#H bond donors: 1
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 1
ACD/LogP: 2.87
ACD/LogD (pH 5.5): 2.39
ACD/BCF (pH 5.5): 38.34
ACD/KOC (pH 5.5): 473.29
ACD/LogD (pH 7.4): 2.39
ACD/BCF (pH 7.4): 38.34
ACD/KOC (pH 7.4): 473.40
Polar Surface Area: 139 Å2
Polarizability: 44.3±0.5 10-24cm3
Surface Tension: 56.1±3.0 dyne/cm
Molar Volume: 332.9±3.0 cm3

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