N-[(5-Chloro-1-Benzothiophen-3-Yl)Methyl]-2-[(2R,6S)-2-Chloro-6-Hydroxy-5-{[2-(2-Pyridinyl)Ethyl]Amino}-3,6-Dihydro-1(2H)-Pyrazinyl]Acetamide
Properties
| Property | Value |
|---|---|
| Formula | C22H23Cl2N5O2S |
| IUPAC Name | n-[(5-chlorobenzothiophen-3-yl)methyl]-2-[(3r,4r,5s)-3-chloro-5-hydroxy-6-[2-(2-pyridyl)ethylamino]-3,5-dihydro-2h-pyrazin-4-yl]acetamide |
| Molecular Mass | 492.421 g·mol−1 |
| Heat of Formation | -34.0 ± 16.7 kJ·mol−1 |
| Dipole Moment | 7.84 ± 1.08 D |
| Volume | 546.58 Å 3 |
| Surface Area | 479.33 Å 2 |
| HOMO Energy | -8.89 ± 0.55 eV |
| LUMO Energy | -1.09 ± eV |
| Point Group Symmetry | C1 |
| InChIKey | SOBGXPPOYFFGTK-UGKGYDQZSA-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 |