ChemSpider 2D Image | (4R)-1-(3,4-Difluorobenzyl)-4-[(4-fluorophenyl)sulfanyl]-N,N-dimethyl-L-prolinamide | C20H21F3N2OS

(4R)-1-(3,4-Difluorobenzyl)-4-[(4-fluorophenyl)sulfanyl]-N,N-dimethyl-L-prolinamide

  • Molecular FormulaC20H21F3N2OS
  • Average mass394.454 Da
  • Monoisotopic mass394.132660 Da
  • ChemSpider ID22865661

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

(4R)-1-(3,4-Difluorbenzyl)-4-[(4-fluorphenyl)sulfanyl]-N,N-dimethyl-L-prolinamid [German] [ACD/IUPAC Name]
(4R)-1-(3,4-Difluorobenzyl)-4-[(4-fluorophenyl)sulfanyl]-N,N-dimethyl-L-prolinamide [ACD/IUPAC Name]
(4R)-1-(3,4-Difluorobenzyl)-4-[(4-fluorophényl)sulfanyl]-N,N-diméthyl-L-prolinamide [French] [ACD/IUPAC Name]
2-Pyrrolidinecarboxamide, 1-[(3,4-difluorophenyl)methyl]-4-[(4-fluorophenyl)thio]-N,N-dimethyl-, (2S,4R)- [ACD/Index Name]
(4R)-1-(3,4-difluorobenzyl)-4-[(4-fluorophenyl)thio]-N,N-dimethyl-L-prolinamide

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

Density: 1.3±0.1 g/cm3
Boiling Point: 496.7±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.3 mmHg at 25°C
Enthalpy of Vaporization: 76.5±3.0 kJ/mol
Flash Point: 254.2±28.7 °C
Index of Refraction: 1.598
Molar Refractivity: 102.7±0.4 cm3
#H bond acceptors: 3
#H bond donors: 0
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 0
ACD/LogP: 2.65
ACD/LogD (pH 5.5): 3.06
ACD/BCF (pH 5.5): 100.68
ACD/KOC (pH 5.5): 737.90
ACD/LogD (pH 7.4): 3.43
ACD/BCF (pH 7.4): 236.03
ACD/KOC (pH 7.4): 1729.99
Polar Surface Area: 49 Å2
Polarizability: 40.7±0.5 10-24cm3
Surface Tension: 49.2±5.0 dyne/cm
Molar Volume: 300.8±5.0 cm3

Click to predict properties on the Chemicalize site


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