7-({4-[(3R)-3-Amino-1-Pyrrolidinyl]-5-Chloro-6-Ethyl-7H-Pyrrolo[2,3-D]Pyrimidin-2-Yl}Sulfanyl)Pyrido[2,3-B]Pyrazin-2(1H)-One
Properties
| Property | Value |
|---|---|
| Formula | C19H19ClN8OS |
| IUPAC Name | 7-[4-[(1s,3r)-3-aminopyrrolidin-1-yl]-5-chloro-6-ethyl-pyrrolo[2,3-d]pyrimidin-7-ium-5-id-2-yl]sulfanyl-3h-pyrido[2,3-b]pyrazin-1-ium-3-ylium-2-one |
| Molecular Mass | 442.925 g·mol−1 |
| Heat of Formation | 264.4 ± 16.7 kJ·mol−1 |
| Dipole Moment | 6.49 ± 1.08 D |
| Volume | 484.94 Å 3 |
| Surface Area | 388.94 Å 2 |
| HOMO Energy | -8.59 ± 0.55 eV |
| LUMO Energy | -1.65 ± eV |
| Point Group Symmetry | C1 |
| InChIKey | QARZTJJXVNQVNZ-SECBINFHSA-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 |