3-{2-[4-(6-Fluoro-1,2-Benzoxazol-3-Yl)-1-Piperidinyl]Ethyl}-7-Hydroxy-2-Methyl-6,7,8,9-Tetrahydro-4H-Pyrido[1,2-A]Pyrimidin-4-One
Properties
Property | Value |
---|---|
Formula | C23H27FN4O3 |
IUPAC Name | (7r)-3-[2-[4-(6-fluoro-1,2-benzoxazol-3-yl)-1-piperidyl]ethyl]-7-hydroxy-2-methyl-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidin-4-one |
Molecular Mass | 426.484 g·mol−1 |
Heat of Formation | -392.8 ± 16.7 kJ·mol−1 |
Dipole Moment | 7.15 ± 1.08 D |
Volume | 494.49 Å 3 |
Surface Area | 429.25 Å 2 |
HOMO Energy | -8.63 ± 0.55 eV |
LUMO Energy | -0.80 ± eV |
Point Group Symmetry | C1 |
InChIKey | ABWPQNZPAOAQSG-QGZVFWFLSA-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 |