ChemSpider 2D Image | N-{3-[(1R,5S,6R)-3-Amino-5-(fluoromethyl)-2-oxa-4-azabicyclo[4.1.0]hept-3-en-5-yl]-4-fluorophenyl}-3-chloro-1,7-naphthyridin-8-amine | C20H16ClF2N5O

N-{3-[(1R,5S,6R)-3-Amino-5-(fluoromethyl)-2-oxa-4-azabicyclo[4.1.0]hept-3-en-5-yl]-4-fluorophenyl}-3-chloro-1,7-naphthyridin-8-amine

  • Molecular FormulaC20H16ClF2N5O
  • Average mass415.824 Da
  • Monoisotopic mass415.101135 Da
  • ChemSpider ID58885760

  • defined stereocentres - 3 of 3 defined stereocentres

More details:

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

2-Oxa-4-azabicyclo[4.1.0]hept-3-en-3-amine, 5-[5-[(3-chloro-1,7-naphthyridin-8-yl)amino]-2-fluorophenyl]-5-(fluoromethyl)-, (1R,5S,6R)- [ACD/Index Name]
N-{3-[(1R,5S,6R)-3-Amino-5-(fluormethyl)-2-oxa-4-azabicyclo[4.1.0]hept-3-en-5-yl]-4-fluorphenyl}-3-chlor-1,7-naphthyridin-8-amin [German] [ACD/IUPAC Name]
N-{3-[(1R,5S,6R)-3-Amino-5-(fluoromethyl)-2-oxa-4-azabicyclo[4.1.0]hept-3-en-5-yl]-4-fluorophenyl}-3-chloro-1,7-naphthyridin-8-amine [ACD/IUPAC Name]
N-{3-[(1R,5S,6R)-3-Amino-5-(fluorométhyl)-2-oxa-4-azabicyclo[4.1.0]hept-3-én-5-yl]-4-fluorophényl}-3-chloro-1,7-naphtyridin-8-amine [French] [ACD/IUPAC Name]

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

Density: 1.6±0.1 g/cm3
Boiling Point: 564.8±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.5 mmHg at 25°C
Enthalpy of Vaporization: 84.8±3.0 kJ/mol
Flash Point: 295.4±32.9 °C
Index of Refraction: 1.738
Molar Refractivity: 102.4±0.5 cm3
#H bond acceptors: 6
#H bond donors: 3
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 0
ACD/LogP: 3.84
ACD/LogD (pH 5.5): 3.30
ACD/BCF (pH 5.5): 174.48
ACD/KOC (pH 5.5): 1270.32
ACD/LogD (pH 7.4): 3.45
ACD/BCF (pH 7.4): 244.65
ACD/KOC (pH 7.4): 1781.17
Polar Surface Area: 85 Å2
Polarizability: 40.6±0.5 10-24cm3
Surface Tension: 58.0±7.0 dyne/cm
Molar Volume: 254.4±7.0 cm3

Click to predict properties on the Chemicalize site


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