Found 178 results

Search term: MF = 'C_{17}H_{21}F_{3}N_{4}OS'
ChemSpider 2D Image | (4S,5R)-5-(1,5-Dimethyl-1H-pyrazol-4-yl)-1-methyl-4-[({[2-(trifluoromethyl)-3-thienyl]methyl}amino)methyl]-2-pyrrolidinone | C17H21F3N4OS

(4S,5R)-5-(1,5-Dimethyl-1H-pyrazol-4-yl)-1-methyl-4-[({[2-(trifluoromethyl)-3-thienyl]methyl}amino)methyl]-2-pyrrolidinone

  • Molecular FormulaC17H21F3N4OS
  • Average mass386.435 Da
  • Monoisotopic mass386.138824 Da
  • ChemSpider ID64992552

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

(4S,5R)-5-(1,5-Dimethyl-1H-pyrazol-4-yl)-1-methyl-4-[({[2-(trifluormethyl)-3-thienyl]methyl}amino)methyl]-2-pyrrolidinon [German] [ACD/IUPAC Name]
(4S,5R)-5-(1,5-Dimethyl-1H-pyrazol-4-yl)-1-methyl-4-[({[2-(trifluoromethyl)-3-thienyl]methyl}amino)methyl]-2-pyrrolidinone [ACD/IUPAC Name]
(4S,5R)-5-(1,5-Diméthyl-1H-pyrazol-4-yl)-1-méthyl-4-[({[2-(trifluorométhyl)-3-thiényl]méthyl}amino)méthyl]-2-pyrrolidinone [French] [ACD/IUPAC Name]
2-Pyrrolidinone, 5-(1,5-dimethyl-1H-pyrazol-4-yl)-1-methyl-4-[[[[2-(trifluoromethyl)-3-thienyl]methyl]amino]methyl]-, (4S,5R)- [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: 505.5±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.3 mmHg at 25°C
Enthalpy of Vaporization: 77.5±3.0 kJ/mol
Flash Point: 259.5±30.1 °C
Index of Refraction: 1.612
Molar Refractivity: 95.5±0.5 cm3
#H bond acceptors: 5
#H bond donors: 1
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 0
ACD/LogP: 1.74
ACD/LogD (pH 5.5): 0.10
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 2.34
ACD/LogD (pH 7.4): 1.81
ACD/BCF (pH 7.4): 9.89
ACD/KOC (pH 7.4): 118.96
Polar Surface Area: 78 Å2
Polarizability: 37.9±0.5 10-24cm3
Surface Tension: 42.5±7.0 dyne/cm
Molar Volume: 274.9±7.0 cm3

Click to predict properties on the Chemicalize site


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