Found 237 results

Search term: MF = 'C_{20}H_{22}FNO_{2}S'
ChemSpider 2D Image | 1-[7-(2-Fluorophenyl)-1,4-thiazepan-4-yl]-2-(2-methylphenoxy)ethanone | C20H22FNO2S

1-[7-(2-Fluorophenyl)-1,4-thiazepan-4-yl]-2-(2-methylphenoxy)ethanone

  • Molecular FormulaC20H22FNO2S
  • Average mass359.458 Da
  • Monoisotopic mass359.135529 Da
  • ChemSpider ID34489357

More details:

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

1-[7-(2-Fluorophenyl)-1,4-thiazepan-4-yl]-2-(2-methylphenoxy)ethanone [ACD/IUPAC Name]
1-[7-(2-Fluorophényl)-1,4-thiazépan-4-yl]-2-(2-méthylphénoxy)éthanone [French] [ACD/IUPAC Name]
1-[7-(2-Fluorphenyl)-1,4-thiazepan-4-yl]-2-(2-methylphenoxy)ethanon [German] [ACD/IUPAC Name]
Ethanone, 1-[7-(2-fluorophenyl)tetrahydro-1,4-thiazepin-4(5H)-yl]-2-(2-methylphenoxy)- [ACD/Index Name]
1-(7-(2-fluorophenyl)-1,4-thiazepan-4-yl)-2-(o-tolyloxy)ethanone
1-[7-(2-fluorophenyl)-1,4-thiazepan-4-yl]-2-(2-methylphenoxy)ethan-1-one
1705762-14-6 [RN]

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

Density: 1.2±0.1 g/cm3
Boiling Point: 526.7±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.4 mmHg at 25°C
Enthalpy of Vaporization: 80.1±3.0 kJ/mol
Flash Point: 272.3±30.1 °C
Index of Refraction: 1.580
Molar Refractivity: 99.5±0.3 cm3
#H bond acceptors: 3
#H bond donors: 0
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 0
ACD/LogP: 4.44
ACD/LogD (pH 5.5): 4.46
ACD/BCF (pH 5.5): 1444.32
ACD/KOC (pH 5.5): 6357.49
ACD/LogD (pH 7.4): 4.46
ACD/BCF (pH 7.4): 1444.32
ACD/KOC (pH 7.4): 6357.49
Polar Surface Area: 55 Å2
Polarizability: 39.4±0.5 10-24cm3
Surface Tension: 45.4±3.0 dyne/cm
Molar Volume: 299.0±3.0 cm3

Click to predict properties on the Chemicalize site


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