3-[(2-{[1-(N,N-Dimethylglycyl)-6-Methoxy-4,4-Dimethyl-1,2,3,4-Tetrahydro-7-Quinolinyl]Amino}-1H-Pyrrolo[2,3-D]Pyrimidin-4-Yl)Amino]-2-Thiophenecarboxamide
Properties
| Property | Value |
|---|---|
| Formula | C27H32N8O3S |
| IUPAC Name | 4-[[2-[[1-[2-(dimethylamino)acetyl]-6-methoxy-4,4-dimethyl-2,3-dihydroquinolin-7-yl]amino]pyrrolo[2,3-d]pyrimidin-7-ium-7a-ylium-4-yl]amino]-2h-thiophen-1-ium-2-ylium-5-carboxamide |
| Molecular Mass | 548.660 g·mol−1 |
| Heat of Formation | -103.9 ± 16.7 kJ·mol−1 |
| Dipole Moment | 4.56 ± 1.08 D |
| Volume | 642.7 Å 3 |
| Surface Area | 535.03 Å 2 |
| HOMO Energy | -7.87 ± 0.55 eV |
| LUMO Energy | 2.12 ± eV |
| Point Group Symmetry | C1 |
| InChIKey | YNSCKPCDFIDINW-UHFFFAOYSA-N |
| QR Code | Generate QR Code |
| Links | PubChem ChemSpider |
| DOI | |
| Downloads | Get JSON data Get MOL2 data Get SVG Image |
| Elements | H C S O N |