Found 25 results

Search term: MF = 'C_{21}H_{18}F_{6}N_{2}O_{2}S'
ChemSpider 2D Image | (2E)-3-[3,5-Bis(trifluoromethyl)phenyl]-1-[4-(3-thienylcarbonyl)-1,4-diazepan-1-yl]-2-propen-1-one | C21H18F6N2O2S

(2E)-3-[3,5-Bis(trifluoromethyl)phenyl]-1-[4-(3-thienylcarbonyl)-1,4-diazepan-1-yl]-2-propen-1-one

  • Molecular FormulaC21H18F6N2O2S
  • Average mass476.435 Da
  • Monoisotopic mass476.099304 Da
  • ChemSpider ID48204455

  • Double-bond stereo - Double-bond stereo

More details:

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

(2E)-3-[3,5-Bis(trifluormethyl)phenyl]-1-[4-(3-thienylcarbonyl)-1,4-diazepan-1-yl]-2-propen-1-on [German] [ACD/IUPAC Name]
(2E)-3-[3,5-Bis(trifluoromethyl)phenyl]-1-[4-(3-thienylcarbonyl)-1,4-diazepan-1-yl]-2-propen-1-one [ACD/IUPAC Name]
(2E)-3-[3,5-Bis(trifluorométhyl)phényl]-1-[4-(3-thiénylcarbonyl)-1,4-diazépan-1-yl]-2-propén-1-one [French] [ACD/IUPAC Name]
2-Propen-1-one, 3-[3,5-bis(trifluoromethyl)phenyl]-1-[hexahydro-4-(3-thienylcarbonyl)-1H-1,4-diazepin-1-yl]-, (2E)- [ACD/Index Name]

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

Density: 1.4±0.1 g/cm3
Boiling Point: 561.1±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.5 mmHg at 25°C
Enthalpy of Vaporization: 84.4±3.0 kJ/mol
Flash Point: 293.1±30.1 °C
Index of Refraction: 1.550
Molar Refractivity: 108.2±0.3 cm3
#H bond acceptors: 4
#H bond donors: 0
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 0
ACD/LogP: 4.24
ACD/LogD (pH 5.5): 4.08
ACD/BCF (pH 5.5): 739.61
ACD/KOC (pH 5.5): 3937.63
ACD/LogD (pH 7.4): 4.08
ACD/BCF (pH 7.4): 739.61
ACD/KOC (pH 7.4): 3937.64
Polar Surface Area: 69 Å2
Polarizability: 42.9±0.5 10-24cm3
Surface Tension: 42.5±3.0 dyne/cm
Molar Volume: 339.9±3.0 cm3

Click to predict properties on the Chemicalize site


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