1-(4-Cyclopenta[4,5]Thieno[1,2-C]Pyrimidin-1-Ylpiperazin-1-Yl)-2-[2-(Trifluoromethyl)Phenyl]Ethanone
Properties
| Property | Value |
|---|---|
| Formula | C22H19F3N4OS |
| IUPAC Name | 1-[4-(7λ4-thia-9,11-diazatricyclo[6.4.0.02,6]dodeca-1,3,5,7,9,11-hexaen-12-yl)piperazin-1-yl]-2-[2-(trifluoromethyl)phenyl]ethanone |
| Molecular Mass | 444.473 g·mol−1 |
| Heat of Formation | -298.8 ± 16.7 kJ·mol−1 |
| Dipole Moment | 4.54 ± 1.08 D |
| Volume | 479.46 Å 3 |
| Surface Area | 401.05 Å 2 |
| HOMO Energy | -8.04 ± 0.55 eV |
| LUMO Energy | 1.75 ± eV |
| Point Group Symmetry | C1 |
| InChIKey | CMNSBUJAOPBGKR-UHFFFAOYSA-N |
| QR Code | Generate QR Code |
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| Elements | C F H O N S |