ChemSpider 2D Image | 1,5-Anhydro-2,3-dideoxy-3-{[(1R,3S)-3-isopropyl-3-({4-[5-(trifluoromethyl)-3-pyridazinyl]-1-piperazinyl}carbonyl)cyclopentyl]amino}-4-O-methyl-D-erythro-pentitol | C24H36F3N5O3

1,5-Anhydro-2,3-dideoxy-3-{[(1R,3S)-3-isopropyl-3-({4-[5-(trifluoromethyl)-3-pyridazinyl]-1-piperazinyl}carbonyl)cyclopentyl]amino}-4-O-methyl-D-erythro-pentitol

  • Molecular FormulaC24H36F3N5O3
  • Average mass499.569 Da
  • Monoisotopic mass499.277039 Da
  • ChemSpider ID26334277

  • defined stereocentres - 4 of 4 defined stereocentres

More details:

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

1,5-Anhydro-2,3-dideoxy-3-{[(1R,3S)-3-isopropyl-3-({4-[5-(trifluoromethyl)-3-pyridazinyl]-1-piperazinyl}carbonyl)cyclopentyl]amino}-4-O-methyl-D-erythro-pentitol [ACD/IUPAC Name]
1,5-Anhydro-2,3-didesoxy-3-{[(1R,3S)-3-isopropyl-3-({4-[5-(trifluormethyl)-3-pyridazinyl]-1-piperazinyl}carbonyl)cyclopentyl]amino}-4-O-methyl-D-erythro-pentitol [German] [ACD/IUPAC Name]
1,5-Anhydro-2,3-didésoxy-3-{[(1R,3S)-3-isopropyl-3-({4-[5-(trifluorométhyl)-3-pyridazinyl]-1-pipérazinyl}carbonyl)cyclopentyl]amino}-4-O-méthyl-D-érythro-pentitol [French] [ACD/IUPAC Name]
D-erythro-Pentitol, 1,5-anhydro-2,3-dideoxy-4-O-methyl-3-[[(1R,3S)-3-(1-methylethyl)-3-[[4-[5-(trifluoromethyl)-3-pyridazinyl]-1-piperazinyl]carbonyl]cyclopentyl]amino]- [ACD/Index Name]

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

Density: 1.3±0.1 g/cm3
Boiling Point: 644.2±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.9 mmHg at 25°C
Enthalpy of Vaporization: 95.0±3.0 kJ/mol
Flash Point: 343.4±31.5 °C
Index of Refraction: 1.545
Molar Refractivity: 124.1±0.4 cm3
#H bond acceptors: 8
#H bond donors: 1
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 0
ACD/LogP: 1.89
ACD/LogD (pH 5.5): -0.29
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): 1.31
ACD/BCF (pH 7.4): 3.07
ACD/KOC (pH 7.4): 36.17
Polar Surface Area: 80 Å2
Polarizability: 49.2±0.5 10-24cm3
Surface Tension: 50.2±5.0 dyne/cm
Molar Volume: 392.5±5.0 cm3

Click to predict properties on the Chemicalize site


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