ChemSpider 2D Image | [1-(Cyclopropylsulfonyl)-3-azetidinyl]{4-[3-(trifluoromethyl)phenyl]-1-piperazinyl}methanone | C18H22F3N3O3S

[1-(Cyclopropylsulfonyl)-3-azetidinyl]{4-[3-(trifluoromethyl)phenyl]-1-piperazinyl}methanone

  • Molecular FormulaC18H22F3N3O3S
  • Average mass417.446 Da
  • Monoisotopic mass417.133392 Da
  • ChemSpider ID30744268

More details:

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

[1-(Cyclopropylsulfonyl)-3-azetidinyl]{4-[3-(trifluormethyl)phenyl]-1-piperazinyl}methanon [German] [ACD/IUPAC Name]
[1-(Cyclopropylsulfonyl)-3-azetidinyl]{4-[3-(trifluoromethyl)phenyl]-1-piperazinyl}methanone [ACD/IUPAC Name]
[1-(Cyclopropylsulfonyl)-3-azétidinyl]{4-[3-(trifluorométhyl)phényl]-1-pipérazinyl}méthanone [French] [ACD/IUPAC Name]
Methanone, [1-(cyclopropylsulfonyl)-3-azetidinyl][4-[3-(trifluoromethyl)phenyl]-1-piperazinyl]- [ACD/Index Name]
(1-(cyclopropylsulfonyl)azetidin-3-yl)(4-(3-(trifluoromethyl)phenyl)piperazin-1-yl)methanone
1-[1-(CYCLOPROPANESULFONYL)AZETIDINE-3-CARBONYL]-4-[3-(TRIFLUOROMETHYL)PHENYL]PIPERAZINE
1428374-93-9 [RN]

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

Density: 1.5±0.1 g/cm3
Boiling Point: 579.2±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.6 mmHg at 25°C
Enthalpy of Vaporization: 86.7±3.0 kJ/mol
Flash Point: 304.1±32.9 °C
Index of Refraction: 1.605
Molar Refractivity: 97.1±0.4 cm3
#H bond acceptors: 6
#H bond donors: 0
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 0
ACD/LogP: 1.94
ACD/LogD (pH 5.5): 1.97
ACD/BCF (pH 5.5): 18.53
ACD/KOC (pH 5.5): 281.28
ACD/LogD (pH 7.4): 1.97
ACD/BCF (pH 7.4): 18.53
ACD/KOC (pH 7.4): 281.33
Polar Surface Area: 69 Å2
Polarizability: 38.5±0.5 10-24cm3
Surface Tension: 57.9±5.0 dyne/cm
Molar Volume: 281.9±5.0 cm3

Click to predict properties on the Chemicalize site


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