ChemSpider 2D Image | 1-(1-Azepanyl)-2-{[5-(4-morpholinylsulfonyl)-2-pyridinyl]sulfanyl}-1-propanone | C18H27N3O4S2

1-(1-Azepanyl)-2-{[5-(4-morpholinylsulfonyl)-2-pyridinyl]sulfanyl}-1-propanone

  • Molecular FormulaC18H27N3O4S2
  • Average mass413.555 Da
  • Monoisotopic mass413.144287 Da
  • ChemSpider ID21769128

More details:

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

1-(1-Azepanyl)-2-{[5-(4-morpholinylsulfonyl)-2-pyridinyl]sulfanyl}-1-propanon [German] [ACD/IUPAC Name]
1-(1-Azepanyl)-2-{[5-(4-morpholinylsulfonyl)-2-pyridinyl]sulfanyl}-1-propanone [ACD/IUPAC Name]
1-(1-Azépanyl)-2-{[5-(4-morpholinylsulfonyl)-2-pyridinyl]sulfanyl}-1-propanone [French] [ACD/IUPAC Name]
1-Propanone, 1-(hexahydro-1H-azepin-1-yl)-2-[[5-(4-morpholinylsulfonyl)-2-pyridinyl]thio]- [ACD/Index Name]
1-(AZEPAN-1-YL)-2-{[5-(MORPHOLINE-4-SULFONYL)PYRIDIN-2-YL]SULFANYL}PROPAN-1-ONE

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

Density: 1.3±0.1 g/cm3
Boiling Point: 613.6±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.8 mmHg at 25°C
Enthalpy of Vaporization: 91.1±3.0 kJ/mol
Flash Point: 324.9±34.3 °C
Index of Refraction: 1.614
Molar Refractivity: 107.1±0.4 cm3
#H bond acceptors: 7
#H bond donors: 0
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 0
ACD/LogP: 2.44
ACD/LogD (pH 5.5): 2.11
ACD/BCF (pH 5.5): 23.52
ACD/KOC (pH 5.5): 333.70
ACD/LogD (pH 7.4): 2.11
ACD/BCF (pH 7.4): 23.52
ACD/KOC (pH 7.4): 333.70
Polar Surface Area: 113 Å2
Polarizability: 42.5±0.5 10-24cm3
Surface Tension: 63.4±5.0 dyne/cm
Molar Volume: 307.4±5.0 cm3

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