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Search term: DBIWGHBJXDMJBJ-ZCNNSNEGSA-N (Found by InChIKey (full match))
ChemSpider 2D Image | 4-(4-[(1R,5S)-3,8-Diazabicyclo[3.2.1]oct-3-yl]-8-fluoro-2-{[(2S)-1-methyl-2-pyrrolidinyl]methoxy}pyrido[4,3-d]pyrimidin-7-yl)-2-naphthol | C29H31FN6O2

4-(4-[(1R,5S)-3,8-Diazabicyclo[3.2.1]oct-3-yl]-8-fluoro-2-{[(2S)-1-methyl-2-pyrrolidinyl]methoxy}pyrido[4,3-d]pyrimidin-7-yl)-2-naphthol

  • Molecular FormulaC29H31FN6O2
  • Average mass514.594 Da
  • Monoisotopic mass514.249268 Da
  • ChemSpider ID129248580

  • defined stereocentres - 3 of 3 defined stereocentres

More details:

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

2-Naphthalenol, 4-[4-[(1R,5S)-3,8-diazabicyclo[3.2.1]oct-3-yl]-8-fluoro-2-[[(2S)-1-methyl-2-pyrrolidinyl]methoxy]pyrido[4,3-d]pyrimidin-7-yl]- [ACD/Index Name]
4-(4-[(1R,5S)-3,8-Diazabicyclo[3.2.1]oct-3-yl]-8-fluor-2-{[(2S)-1-methyl-2-pyrrolidinyl]methoxy}pyrido[4,3-d]pyrimidin-7-yl)-2-naphthol [German] [ACD/IUPAC Name]
4-(4-[(1R,5S)-3,8-Diazabicyclo[3.2.1]oct-3-yl]-8-fluoro-2-{[(2S)-1-methyl-2-pyrrolidinyl]methoxy}pyrido[4,3-d]pyrimidin-7-yl)-2-naphthol [ACD/IUPAC Name]
4-(4-[(1R,5S)-3,8-Diazabicyclo[3.2.1]oct-3-yl]-8-fluoro-2-{[(2S)-1-méthyl-2-pyrrolidinyl]méthoxy}pyrido[4,3-d]pyrimidin-7-yl)-2-naphtol [French] [ACD/IUPAC 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: 717.6±70.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.4 mmHg at 25°C
Enthalpy of Vaporization: 108.6±3.0 kJ/mol
Flash Point: 387.8±35.7 °C
Index of Refraction: 1.666
Molar Refractivity: 144.9±0.3 cm3
#H bond acceptors: 8
#H bond donors: 2
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 1
ACD/LogP: 2.73
ACD/LogD (pH 5.5): -1.34
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): 0.55
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 4.75
Polar Surface Area: 87 Å2
Polarizability: 57.5±0.5 10-24cm3
Surface Tension: 59.0±3.0 dyne/cm
Molar Volume: 389.9±3.0 cm3

Click to predict properties on the Chemicalize site


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