ChemSpider 2D Image | 1-{[(3R)-3-Methyl-4-({4-[(2S)-1,1,1-trifluoro-2-hydroxy-2-propanyl]phenyl}sulfonyl)-1-piperazinyl]methyl}cyclopropanecarboxamide | C19H26F3N3O4S

1-{[(3R)-3-Methyl-4-({4-[(2S)-1,1,1-trifluoro-2-hydroxy-2-propanyl]phenyl}sulfonyl)-1-piperazinyl]methyl}cyclopropanecarboxamide

  • Molecular FormulaC19H26F3N3O4S
  • Average mass449.488 Da
  • Monoisotopic mass449.159607 Da
  • ChemSpider ID23336276
  • defined stereocentres - 2 of 2 defined stereocentres


More details:






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

1-{[(3R)-3-methyl-4-({4-[(1S)-2,2,2-trifluoro-1-hydroxy-1-methylethyl]phenyl}sulfonyl)piperazin-1-yl]methyl}cyclopropanecarboxamide
1-{[(3R)-3-Methyl-4-({4-[(2S)-1,1,1-trifluor-2-hydroxy-2-propanyl]phenyl}sulfonyl)-1-piperazinyl]methyl}cyclopropancarboxamid [German] [ACD/IUPAC Name]
1-{[(3R)-3-Methyl-4-({4-[(2S)-1,1,1-trifluoro-2-hydroxy-2-propanyl]phenyl}sulfonyl)-1-piperazinyl]methyl}cyclopropanecarboxamide [ACD/IUPAC Name]
1-{[(3R)-3-Méthyl-4-({4-[(2S)-1,1,1-trifluoro-2-hydroxy-2-propanyl]phényl}sulfonyl)-1-pipérazinyl]méthyl}cyclopropanecarboxamide [French] [ACD/IUPAC Name]
Cyclopropanecarboxamide, 1-[[(3R)-3-methyl-4-[[4-[(1S)-2,2,2-trifluoro-1-hydroxy-1-methylethyl]phenyl]sulfonyl]-1-piperazinyl]methyl]- [ACD/Index Name]
1-(((R)-3-methyl-4-(4-((S)-1,1,1-trifluoro-2-hydroxypropan-2-yl)phenylsulfonyl)piperazin-1-yl)methyl)cyclopropanecarboxamide
1-{[(3R)-3-methyl-4-({4-[(2S)-1,1,1-trifluoro-2-hydroxypropan-2-yl]benzene}sulfonyl)piperazin-1-yl]methyl}cyclopropane-1-carboxamide
1-{[(3R)-3-methyl-4-({4-[(2S)-1,1,1-trifluoro-2-hydroxypropan-2-yl]phenyl}sulfonyl)piperazin-1-yl]methyl}cyclopropanecarboxamide
1-{[(3R)-3-methyl-4-{4-[(2S)-1,1,1-trifluoro-2-hydroxypropan-2-yl]benzenesulfonyl}piperazin-1-yl]methyl}cyclopropane-1-carboxamide
CHEMBL460962

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

Density: 1.4±0.1 g/cm3
Boiling Point: 605.0±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.8 mmHg at 25°C
Enthalpy of Vaporization: 94.6±3.0 kJ/mol
Flash Point: 319.7±34.3 °C
Index of Refraction: 1.563
Molar Refractivity: 105.1±0.4 cm3
#H bond acceptors: 7
#H bond donors: 3
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 0
ACD/LogP: 1.01
ACD/LogD (pH 5.5): 0.74
ACD/BCF (pH 5.5): 1.58
ACD/KOC (pH 5.5): 33.64
ACD/LogD (pH 7.4): 1.28
ACD/BCF (pH 7.4): 5.48
ACD/KOC (pH 7.4): 116.54
Polar Surface Area: 112 Å2
Polarizability: 41.7±0.5 10-24cm3
Surface Tension: 50.4±3.0 dyne/cm
Molar Volume: 323.6±3.0 cm3

Click to predict properties on the Chemicalize site






Advertisement