ChemSpider 2D Image | (3R)-methylthiofentanyl | C21H28N2OS

(3R)-methylthiofentanyl

  • Molecular FormulaC21H28N2OS
  • Average mass356.525 Da
  • Monoisotopic mass356.192230 Da
  • ChemSpider ID26330598
  • defined stereocentres - 1 of 2 defined stereocentres


More details:






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

(3R)-methylthiofentanyl
N-{(3R)-3-Methyl-1-[2-(2-thienyl)ethyl]-4-piperidinyl}-N-phenylpropanamid [German] [ACD/IUPAC Name]
N-{(3R)-3-Methyl-1-[2-(2-thienyl)ethyl]-4-piperidinyl}-N-phenylpropanamide [ACD/IUPAC Name]
N-{(3R)-3-Méthyl-1-[2-(2-thiényl)éthyl]-4-pipéridinyl}-N-phénylpropanamide [French] [ACD/IUPAC Name]
Propanamide, N-[(3R)-3-methyl-1-[2-(2-thienyl)ethyl]-4-piperidinyl]-N-phenyl- [ACD/Index Name]
https://www.ebi.ac.uk/chebi/searchId.do?chebiId=CHEBI:53764
N-{(3R)-3-methyl-1-[2-(2-thienyl)ethyl]piperidin-4-yl}-N-phenylpropanamide

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.1±0.1 g/cm3
Boiling Point: 474.0±40.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.2 mmHg at 25°C
Enthalpy of Vaporization: 73.7±3.0 kJ/mol
Flash Point: 240.4±27.3 °C
Index of Refraction: 1.584
Molar Refractivity: 106.8±0.3 cm3
#H bond acceptors: 3
#H bond donors: 0
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 0
ACD/LogP: 4.06
ACD/LogD (pH 5.5): 1.60
ACD/BCF (pH 5.5): 2.45
ACD/KOC (pH 5.5): 12.95
ACD/LogD (pH 7.4): 3.31
ACD/BCF (pH 7.4): 123.78
ACD/KOC (pH 7.4): 654.57
Polar Surface Area: 52 Å2
Polarizability: 42.3±0.5 10-24cm3
Surface Tension: 45.3±3.0 dyne/cm
Molar Volume: 318.9±3.0 cm3

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