ChemSpider 2D Image | 1-[4-(1-Piperidinylsulfonyl)-1,4-diazepan-1-yl]-2-[1-(1H-pyrrol-1-ylmethyl)cyclohexyl]ethanone | C23H38N4O3S

1-[4-(1-Piperidinylsulfonyl)-1,4-diazepan-1-yl]-2-[1-(1H-pyrrol-1-ylmethyl)cyclohexyl]ethanone

  • Molecular FormulaC23H38N4O3S
  • Average mass450.638 Da
  • Monoisotopic mass450.266449 Da
  • ChemSpider ID57575342

More details:

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

1-[4-(1-Piperidinylsulfonyl)-1,4-diazepan-1-yl]-2-[1-(1H-pyrrol-1-ylmethyl)cyclohexyl]ethanon [German] [ACD/IUPAC Name]
1-[4-(1-Piperidinylsulfonyl)-1,4-diazepan-1-yl]-2-[1-(1H-pyrrol-1-ylmethyl)cyclohexyl]ethanone [ACD/IUPAC Name]
1-[4-(1-Pipéridinylsulfonyl)-1,4-diazépan-1-yl]-2-[1-(1H-pyrrol-1-ylméthyl)cyclohexyl]éthanone [French] [ACD/IUPAC Name]
Ethanone, 1-[hexahydro-4-(1-piperidinylsulfonyl)-1H-1,4-diazepin-1-yl]-2-[1-(1H-pyrrol-1-ylmethyl)cyclohexyl]- [ACD/Index Name]
1-[4-(piperidin-1-ylsulfonyl)-1,4-diazepan-1-yl]-2-[1-(1H-pyrrol-1-ylmethyl)cyclohexyl]ethanone
2-(1-((1H-pyrrol-1-yl)methyl)cyclohexyl)-1-(4-(piperidin-1-ylsulfonyl)-1,4-diazepan-1-yl)ethanone

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

Density: 1.3±0.1 g/cm3
Boiling Point: 633.2±48.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.9 mmHg at 25°C
Enthalpy of Vaporization: 93.6±3.0 kJ/mol
Flash Point: 336.8±29.6 °C
Index of Refraction: 1.625
Molar Refractivity: 125.3±0.5 cm3
#H bond acceptors: 7
#H bond donors: 0
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 0
ACD/LogP: 2.31
ACD/LogD (pH 5.5): 2.69
ACD/BCF (pH 5.5): 65.58
ACD/KOC (pH 5.5): 695.11
ACD/LogD (pH 7.4): 2.69
ACD/BCF (pH 7.4): 65.58
ACD/KOC (pH 7.4): 695.11
Polar Surface Area: 74 Å2
Polarizability: 49.7±0.5 10-24cm3
Surface Tension: 54.0±7.0 dyne/cm
Molar Volume: 354.6±7.0 cm3

Click to predict properties on the Chemicalize site


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