ChemSpider 2D Image | 1-{10-[(5-Fluoro-2-methoxyphenyl)sulfonyl]-2,3,4,5,6,7,8,9,10,11-decahydro-1H-1,10-benzodiazacyclotridecin-1-yl}-2-methoxyethanone | C25H33FN2O5S

1-{10-[(5-Fluoro-2-methoxyphenyl)sulfonyl]-2,3,4,5,6,7,8,9,10,11-decahydro-1H-1,10-benzodiazacyclotridecin-1-yl}-2-methoxyethanone

  • Molecular FormulaC25H33FN2O5S
  • Average mass492.603 Da
  • Monoisotopic mass492.209412 Da
  • ChemSpider ID113558979

More details:

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

1-{10-[(5-Fluor-2-methoxyphenyl)sulfonyl]-2,3,4,5,6,7,8,9,10,11-decahydro-1H-1,10-benzodiazacyclotridecin-1-yl}-2-methoxyethanon [German] [ACD/IUPAC Name]
1-{10-[(5-Fluoro-2-methoxyphenyl)sulfonyl]-2,3,4,5,6,7,8,9,10,11-decahydro-1H-1,10-benzodiazacyclotridecin-1-yl}-2-methoxyethanone [ACD/IUPAC Name]
1-{10-[(5-Fluoro-2-méthoxyphényl)sulfonyl]-2,3,4,5,6,7,8,9,10,11-décahydro-1H-1,10-benzodiazacyclotridécin-1-yl}-2-méthoxyéthanone [French] [ACD/IUPAC Name]
Ethanone, 1-[10-[(5-fluoro-2-methoxyphenyl)sulfonyl]-2,3,4,5,6,7,8,9,10,11-decahydro-1H-1,10-benzodiazacyclotridecin-1-yl]-2-methoxy- [ACD/Index Name]

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

Density: 1.2±0.1 g/cm3
Boiling Point: 684.6±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.1 mmHg at 25°C
Enthalpy of Vaporization: 100.4±3.0 kJ/mol
Flash Point: 367.9±34.3 °C
Index of Refraction: 1.543
Molar Refractivity: 129.9±0.4 cm3
#H bond acceptors: 7
#H bond donors: 0
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 1
ACD/LogP: 5.62
ACD/LogD (pH 5.5): 5.08
ACD/BCF (pH 5.5): 4274.07
ACD/KOC (pH 5.5): 13821.29
ACD/LogD (pH 7.4): 5.08
ACD/BCF (pH 7.4): 4274.10
ACD/KOC (pH 7.4): 13821.40
Polar Surface Area: 85 Å2
Polarizability: 51.5±0.5 10-24cm3
Surface Tension: 42.3±3.0 dyne/cm
Molar Volume: 412.1±3.0 cm3

Click to predict properties on the Chemicalize site


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