Found 1 result

Search term: XSDXNVMLXLEGSP-ULDOEVFSSA-N (Found by InChIKey (full match))
ChemSpider 2D Image | 8-({(1S,2R,3R,5R)-2-[2-(4,4-Difluorocyclohexyl)ethyl]-8-azabicyclo[3.2.1]oct-3-yl}amino)-3-methyl-5-(5-methyl-3-pyridinyl)-1,7-naphthyridin-2(1H)-one | C30H37F2N5O

8-({(1S,2R,3R,5R)-2-[2-(4,4-Difluorocyclohexyl)ethyl]-8-azabicyclo[3.2.1]oct-3-yl}amino)-3-methyl-5-(5-methyl-3-pyridinyl)-1,7-naphthyridin-2(1H)-one

  • Molecular FormulaC30H37F2N5O
  • Average mass521.644 Da
  • Monoisotopic mass521.296631 Da
  • ChemSpider ID90662828

  • defined stereocentres - 4 of 4 defined stereocentres

More details:

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

1,7-Naphthyridin-2(1H)-one, 8-[[(1S,2R,3R,5R)-2-[2-(4,4-difluorocyclohexyl)ethyl]-8-azabicyclo[3.2.1]oct-3-yl]amino]-3-methyl-5-(5-methyl-3-pyridinyl)- [ACD/Index Name]
8-({(1S,2R,3R,5R)-2-[2-(4,4-Difluorcyclohexyl)ethyl]-8-azabicyclo[3.2.1]oct-3-yl}amino)-3-methyl-5-(5-methyl-3-pyridinyl)-1,7-naphthyridin-2(1H)-on [German] [ACD/IUPAC Name]
8-({(1S,2R,3R,5R)-2-[2-(4,4-Difluorocyclohexyl)ethyl]-8-azabicyclo[3.2.1]oct-3-yl}amino)-3-methyl-5-(5-methyl-3-pyridinyl)-1,7-naphthyridin-2(1H)-one [ACD/IUPAC Name]
8-({(1S,2R,3R,5R)-2-[2-(4,4-Difluorocyclohexyl)éthyl]-8-azabicyclo[3.2.1]oct-3-yl}amino)-3-méthyl-5-(5-méthyl-3-pyridinyl)-1,7-naphtyridin-2(1H)-one [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: 708.6±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.3 mmHg at 25°C
Enthalpy of Vaporization: 103.6±3.0 kJ/mol
Flash Point: 382.3±32.9 °C
Index of Refraction: 1.612
Molar Refractivity: 142.4±0.4 cm3
#H bond acceptors: 6
#H bond donors: 3
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 2
ACD/LogP: 5.60
ACD/LogD (pH 5.5): 2.06
ACD/BCF (pH 5.5): 3.93
ACD/KOC (pH 5.5): 12.18
ACD/LogD (pH 7.4): 2.63
ACD/BCF (pH 7.4): 14.61
ACD/KOC (pH 7.4): 45.26
Polar Surface Area: 79 Å2
Polarizability: 56.4±0.5 10-24cm3
Surface Tension: 56.5±5.0 dyne/cm
Molar Volume: 409.6±5.0 cm3

Click to predict properties on the Chemicalize site


Advertisement