(8S,9R,9As)-9-[(5-Chloro-3-Pyridyl)Methyl]-2-[(3R)-3-Methylmorpholin-4-Yl]-8-(Trifluoromethyl)-6,7,8,9A-Tetrahydro-3H-Pyrimido[1,2-A]Pyrimidin-4-One
Properties
| Property | Value |
|---|---|
| Formula | C19H23ClF3N5O2 |
| IUPAC Name | (8s,9as)-9-[(5-chloro-3-pyridyl)methyl]-2-[(3r)-3-methylmorpholin-4-yl]-8-(trifluoromethyl)-6,7,8,9a-tetrahydro-3h-pyrimido[1,2-a]pyrimidin-4-one |
| Molecular Mass | 445.866 g·mol−1 |
| Heat of Formation | -816.7 ± 16.7 kJ·mol−1 |
| Dipole Moment | 3.19 ± 1.08 D |
| Volume | 479.58 Å 3 |
| Surface Area | 369.13 Å 2 |
| HOMO Energy | -9.29 ± 0.55 eV |
| LUMO Energy | 2.21 ± eV |
| Point Group Symmetry | C1 |
| InChIKey | HTJGYDUKBSAZGM-MRAWALMUSA-N |
| QR Code | Generate QR Code |
| Links | |
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| Downloads | Get JSON data Get MOL2 data Get SVG Image |
| Elements | C Cl H F O N |