3-{2-[(1S,5R,6S)-6-(4-Fluorophenyl)-3-Azabicyclo[3.2.0]Hept-3-Yl]Ethyl}-2,4(1H,3H)-Quinazolinedione
Properties
Property | Value |
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Formula | C22H22FN3O2 |
IUPAC Name | 3-[2-[(1s,3r,5r,6s)-6-(4-fluorophenyl)-3-azabicyclo[3.2.0]heptan-3-yl]ethyl]quinazoline-2,4-dione |
Molecular Mass | 379.427 g·mol−1 |
Heat of Formation | -297.7 ± 16.7 kJ·mol−1 |
Dipole Moment | 5.79 ± 1.08 D |
Volume | 437.79 Å 3 |
Surface Area | 390.41 Å 2 |
HOMO Energy | -8.87 ± 0.55 eV |
LUMO Energy | -0.90 ± eV |
Point Group Symmetry | C1 |
Synonyms |
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CAS Number(s) |
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InChIKey | XLJWJFKYRFPJSD-LZQZEXGQSA-N |
QR Code | Generate QR Code |
Links | PubChem ChemSpider |
DOI | |
Downloads | Get JSON data Get MOL2 data Get SVG Image |
Elements | H C N O F |