(2S,6S)-6-Chloro-1-(2-{[(5-Chloro-1-Benzothiophen-3-Yl)Methyl]Amino}Ethyl)-3-({2-[(2S)-2-Piperidinyl]Ethyl}Amino)-1,2,5,6-Tetrahydro-2-Pyrazinol
Properties
| Property | Value |
|---|---|
| Formula | C22H31Cl2N5OS |
| IUPAC Name | (3s,4r,5s)-3-chloro-4-[2-[(5-chlorobenzothiophen-3-yl)methylamino]ethyl]-6-[2-[(2s)-2-piperidyl]ethylamino]-3,5-dihydro-2h-pyrazin-5-ol |
| Molecular Mass | 484.485 g·mol−1 |
| Heat of Formation | -105.7 ± 16.7 kJ·mol−1 |
| Dipole Moment | 3.77 ± 1.08 D |
| Volume | 572.69 Å 3 |
| Surface Area | 470.84 Å 2 |
| HOMO Energy | -8.67 ± 0.55 eV |
| LUMO Energy | -0.91 ± eV |
| Point Group Symmetry | C1 |
| InChIKey | YHTGPUXGIBWHPN-WEYGHZABSA-N |
| QR Code | Generate QR Code |
| Links | PubChem ChemSpider |
| DOI | |
| Downloads | Get JSON data Get MOL2 data Get SVG Image |
| Elements | C Cl H O N S |