ChemSpider 2D Image | su4984 | C20H21N3O2

su4984

  • Molecular FormulaC20H21N3O2
  • Average mass335.400 Da
  • Monoisotopic mass335.163391 Da
  • ChemSpider ID16744209
  • defined stereocentres - 1 of 1 defined stereocentres


More details:






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

1-Piperazinecarboxaldehyde, 4-[4-[[(3R)-2,3-dihydro-2-oxo-1H-indol-3-yl]methyl]phenyl]- [ACD/Index Name]
4-(4-{[(3R)-2-Oxo-2,3-dihydro-1H-indol-3-yl]methyl}phenyl)-1-piperazincarbaldehyd [German] [ACD/IUPAC Name]
4-(4-{[(3R)-2-Oxo-2,3-dihydro-1H-indol-3-yl]methyl}phenyl)-1-piperazinecarbaldehyde [ACD/IUPAC Name]
4-(4-{[(3R)-2-Oxo-2,3-dihydro-1H-indol-3-yl]méthyl}phényl)-1-pipérazinecarbaldéhyde [French] [ACD/IUPAC Name]
su4984
(R)-RETRO-THIORPHAN
4-(4-{[(3R)-2-oxo-1,3-dihydroindol-3-yl]methyl}phenyl)piperazine-1-carbaldehyde
4-(4-{[(3R)-2-oxo-2,3-dihydro-1H-indol-3-yl]methyl}phenyl)piperazine-1-carbaldehyde

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

RRT [DBID]

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

Density: 1.3±0.1 g/cm3
Boiling Point: 605.5±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.7 mmHg at 25°C
Enthalpy of Vaporization: 90.0±3.0 kJ/mol
Flash Point: 320.0±31.5 °C
Index of Refraction: 1.670
Molar Refractivity: 96.8±0.3 cm3
#H bond acceptors: 5
#H bond donors: 1
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 0
ACD/LogP: 1.46
ACD/LogD (pH 5.5): 2.10
ACD/BCF (pH 5.5): 23.25
ACD/KOC (pH 5.5): 329.51
ACD/LogD (pH 7.4): 2.11
ACD/BCF (pH 7.4): 23.61
ACD/KOC (pH 7.4): 334.57
Polar Surface Area: 53 Å2
Polarizability: 38.4±0.5 10-24cm3
Surface Tension: 62.3±3.0 dyne/cm
Molar Volume: 259.3±3.0 cm3

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