1-(4-{3-[(3R,3Ar)-2-Acetyl-8-Fluoro-3-Phenyl-3A,4-Dihydro-3H-Pyrazolo[5,1-C][1,4]Benzoxazin-3-Yl]Propyl}-1-Piperazinyl)Ethanone
Properties
Property | Value |
---|---|
Formula | C27H31FN4O3 |
IUPAC Name | 1-[(3r,3ar)-3-[3-(4-acetylpiperazin-1-yl)propyl]-8-fluoro-3-phenyl-3a,4-dihydropyrazolo[5,1-c][1,4]benzoxazin-2-yl]ethanone |
Molecular Mass | 478.558 g·mol−1 |
Heat of Formation | -351.5 ± 16.7 kJ·mol−1 |
Dipole Moment | 4.92 ± 1.08 D |
Volume | 567.18 Å 3 |
Surface Area | 467.52 Å 2 |
HOMO Energy | -8.95 ± 0.55 eV |
LUMO Energy | 2.17 ± eV |
Point Group Symmetry | C1 |
Synonyms |
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InChIKey | BWKAHABETZLDBG-AHKZPQOWSA-N |
QR Code | Generate QR Code |
Links | PubChem ChemSpider |
DOI | |
Downloads | Get JSON data Get MOL2 data Get SVG Image |
Elements | H C F O N |