ChemSpider 2D Image | PF-04634817 | C25H36F3N5O3

PF-04634817

  • Molecular FormulaC25H36F3N5O3
  • Average mass511.580 Da
  • Monoisotopic mass511.277039 Da
  • ChemSpider ID58828233

  • defined stereocentres - 6 of 6 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-({(1S,4S)-5-[6-(trifluoromethyl)-4-pyrimidinyl]-2,5-diazabicyclo[2.2.1]hept-2-yl}carbonyl)cyclopentyl]amino}-4-O-methyl-D-erythro-pentitol [ACD/IUPAC Name]
1,5-Anhydro-2,3-didesoxy-3-{[(1R,3S)-3-isopropyl-3-({(1S,4S)-5-[6-(trifluormethyl)-4-pyrimidinyl]-2,5-diazabicyclo[2.2.1]hept-2-yl}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-({(1S,4S)-5-[6-(trifluorométhyl)-4-pyrimidinyl]-2,5-diazabicyclo[2.2.1]hept-2-yl}carbonyl)cyclopentyl]amino}-4-O-méthyl-D-érythro-pentitol [French] [ACD/IUPAC Name]
1228111-63-4 [RN]
D-erythro-Pentitol, 1,5-anhydro-2,3-dideoxy-4-O-methyl-3-[[(1R,3S)-3-(1-methylethyl)-3-[[(1S,4S)-5-[6-(trifluoromethyl)-4-pyrimidinyl]-2,5-diazabicyclo[2.2.1]hept-2-yl]carbonyl]cyclopentyl]amino]- [ACD/Index Name]
PF-04634817
[(1S,3R)-3-[[(3S,4S)-3-methoxyoxan-4-yl]amino]-1-propan-2-ylcyclopentyl]-[(1S,4S)-5-[6-(trifluoromethyl)pyrimidin-4-yl]-2,5-diazabicyclo[2.2.1]heptan-2-yl]methanone
2140301-98-8 [RN]
MFCD27987915

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

51M3FB9B9E [DBID]
UNII:51M3FB9B9E [DBID]

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

Density: 1.3±0.1 g/cm3
Boiling Point: 630.3±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.8 mmHg at 25°C
Enthalpy of Vaporization: 93.2±3.0 kJ/mol
Flash Point: 335.0±31.5 °C
Index of Refraction: 1.561
Molar Refractivity: 126.7±0.4 cm3
#H bond acceptors: 8
#H bond donors: 1
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 1
ACD/LogP: 2.03
ACD/LogD (pH 5.5): -0.51
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): 1.11
ACD/BCF (pH 7.4): 2.17
ACD/KOC (pH 7.4): 28.65
Polar Surface Area: 80 Å2
Polarizability: 50.2±0.5 10-24cm3
Surface Tension: 52.2±5.0 dyne/cm
Molar Volume: 391.0±5.0 cm3

Click to predict properties on the Chemicalize site


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