N-[2-(Dimethylamino)Ethyl]-N-Methyl-4-[({4-[4-(4-Morpholinyl)-7-(2,2,2-Trifluoroethyl)-7H-Pyrrolo[2,3-D]Pyrimidin-2-Yl]Phenyl}Carbamoyl)Amino]Benzamide
Properties
| Property | Value |
|---|---|
| Formula | C31H35F3N8O3 |
| IUPAC Name | n-[2-(dimethylamino)ethyl]-n-methyl-4-[[4-[4-morpholino-7-(2,2,2-trifluoroethyl)pyrrolo[2,3-d]pyrimidin-2-yl]phenyl]carbamoylamino]benzamide |
| Molecular Mass | 624.657 g·mol−1 |
| Heat of Formation | -717.3 ± 16.7 kJ·mol−1 |
| Dipole Moment | 6.55 ± 1.08 D |
| Volume | 718.87 Å 3 |
| Surface Area | 600.54 Å 2 |
| HOMO Energy | -8.49 ± 0.55 eV |
| LUMO Energy | -0.80 ± eV |
| Point Group Symmetry | C1 |
| InChIKey | GMASZVAHNYVURN-UHFFFAOYSA-N |
| QR Code | Generate QR Code |
| Links | PubChem ChemSpider |
| DOI | |
| Downloads | Get JSON data Get MOL2 data Get SVG Image |
| Elements | H C N O F |