(3R)-1-[5-Chloro-6-Ethyl-2-(Pyrido[2,3-B]Pyrazin-7-Ylsulfanyl)-7H-Pyrrolo[2,3-D]Pyrimidin-4-Yl]-3-Pyrrolidinamine
Properties
| Property | Value |
|---|---|
| Formula | C19H19ClN8S |
| IUPAC Name | (1s,3r)-1-(5-chloro-6-ethyl-2-pyrido[2,3-b]pyrazin-7-ylsulfanyl-pyrrolo[2,3-d]pyrimidin-7-ium-6-ylium-4-yl)pyrrolidin-3-amine |
| Molecular Mass | 426.926 g·mol−1 |
| Heat of Formation | 491.1 ± 16.7 kJ·mol−1 |
| Dipole Moment | 6.58 ± 1.08 D |
| Volume | 468.55 Å 3 |
| Surface Area | 404.31 Å 2 |
| HOMO Energy | -8.53 ± 0.55 eV |
| LUMO Energy | 0.52 ± eV |
| Point Group Symmetry | C1 |
| InChIKey | WXCUMDKJRMUULE-SNVBAGLBSA-N |
| QR Code | Generate QR Code |
| Links | PubChem ChemSpider |
| DOI | |
| Downloads | Get JSON data Get MOL2 data Get SVG Image |
| Elements | H C N S Cl |