ChemSpider 2D Image | (2R)-1,1,1-Trifluoro-2-{4-[(2S)-2-{[(3S)-3-methyl-4-morpholinyl]methyl}-4-(2-thienylsulfonyl)-1-piperazinyl]phenyl}-2-propanol | C23H30F3N3O4S2

(2R)-1,1,1-Trifluoro-2-{4-[(2S)-2-{[(3S)-3-methyl-4-morpholinyl]methyl}-4-(2-thienylsulfonyl)-1-piperazinyl]phenyl}-2-propanol

  • Molecular FormulaC23H30F3N3O4S2
  • Average mass533.627 Da
  • Monoisotopic mass533.162964 Da
  • ChemSpider ID31138018
  • defined stereocentres - 3 of 3 defined stereocentres


More details:






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

(2R)-1,1,1-Trifluor-2-{4-[(2S)-2-{[(3S)-3-methyl-4-morpholinyl]methyl}-4-(2-thienylsulfonyl)-1-piperazinyl]phenyl}-2-propanol [German] [ACD/IUPAC Name]
(2R)-1,1,1-Trifluoro-2-{4-[(2S)-2-{[(3S)-3-methyl-4-morpholinyl]methyl}-4-(2-thienylsulfonyl)-1-piperazinyl]phenyl}-2-propanol [ACD/IUPAC Name]
(2R)-1,1,1-Trifluoro-2-{4-[(2S)-2-{[(3S)-3-méthyl-4-morpholinyl]méthyl}-4-(2-thiénylsulfonyl)-1-pipérazinyl]phényl}-2-propanol [French] [ACD/IUPAC Name]
(2r)-1,1,1-Trifluoro-2-{4-[(2s)-2-{[(3s)-3-Methylmorpholin-4-Yl]methyl}-4-(Thiophen-2-Ylsulfonyl)piperazin-1-Yl]phenyl}propan-2-Ol
Benzenemethanol, α-methyl-4-[(2S)-2-[[(3S)-3-methyl-4-morpholinyl]methyl]-4-(2-thienylsulfonyl)-1-piperazinyl]-α-(trifluoromethyl)-, (αR)- [ACD/Index Name]
1361217-07-3 [RN]
1YY
AMG-1694

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

Density: 1.3±0.1 g/cm3
Boiling Point: 652.6±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.1 mmHg at 25°C
Enthalpy of Vaporization: 101.0±3.0 kJ/mol
Flash Point: 348.5±34.3 °C
Index of Refraction: 1.570
Molar Refractivity: 129.8±0.4 cm3
#H bond acceptors: 7
#H bond donors: 1
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 1
ACD/LogP: 2.52
ACD/LogD (pH 5.5): 1.06
ACD/BCF (pH 5.5): 1.63
ACD/KOC (pH 5.5): 18.30
ACD/LogD (pH 7.4): 2.42
ACD/BCF (pH 7.4): 37.76
ACD/KOC (pH 7.4): 425.30
Polar Surface Area: 110 Å2
Polarizability: 51.5±0.5 10-24cm3
Surface Tension: 46.7±3.0 dyne/cm
Molar Volume: 395.8±3.0 cm3

Click to predict properties on the Chemicalize site






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