6-[({1-[(1S)-2-(3-Fluoro-6-Methoxy-1,5-Naphthyridin-4-Yl)-1-Hydroxyethyl]-2-Oxabicyclo[2.2.2]Oct-4-Yl}Amino)Methyl]-2H-Pyrido[3,2-B][1,4]Oxazin-3(4H)-One
Properties
Property | Value |
---|---|
Formula | C26H28FN5O5 |
IUPAC Name | 6-[[[1-[(1s)-2-(3-fluoro-6-methoxy-1,5-naphthyridin-4-yl)-1-hydroxy-ethyl]-2-oxabicyclo[2.2.2]octan-4-yl]amino]methyl]-4h-pyrido[3,2-b][1,4]oxazin-3-one |
Molecular Mass | 509.529 g·mol−1 |
Heat of Formation | -704.4 ± 16.7 kJ·mol−1 |
Dipole Moment | 1.98 ± 1.08 D |
Volume | 571.42 Å 3 |
Surface Area | 477.29 Å 2 |
HOMO Energy | -9.13 ± 0.55 eV |
LUMO Energy | 1.75 ± eV |
Point Group Symmetry | C1 |
InChIKey | JWCUKLIKGBNEKA-XZZVZQAVSA-N |
QR Code | Generate QR Code |
Links | ChemSpider |
DOI | |
Downloads | Get JSON data Get MOL2 data Get SVG Image |
Elements | H C F O N |