(8S)-9-[(5-Chloro-2-Thienyl)Methyl]-2-[(3R,5R)-3,5-Dimethyl-4-Morpholinyl]-8-(Trifluoromethyl)-6,7,8,9-Tetrahydro-4H-Pyrimido[1,2-A]Pyrimidin-4-One
Properties
Property | Value |
---|---|
Formula | C19H22ClF3N4O2S |
IUPAC Name | (2s)-1-[(5-chloro-2-thienyl)methyl]-8-[(3r,5r)-3,5-dimethylmorpholin-4-yl]-2-(trifluoromethyl)-3,4-dihydro-2h-pyrimido[1,2-a]pyrimidin-6-one |
Molecular Mass | 462.917 g·mol−1 |
Heat of Formation | -815.2 ± 16.7 kJ·mol−1 |
Dipole Moment | 3.29 ± 1.08 D |
Volume | 496.72 Å 3 |
Surface Area | 384.59 Å 2 |
HOMO Energy | -8.89 ± 0.55 eV |
LUMO Energy | -1.20 ± eV |
Point Group Symmetry | C1 |
InChIKey | MMAAITOCOBQYBQ-BZPMIXESSA-N |
QR Code | Generate QR Code |
Links | PubChem ChemSpider |
DOI | |
Downloads | Get JSON data Get MOL2 data Get SVG Image |
Elements | C Cl H F O N S |