N-{2-[(1R,8S)-4-{[4-(Cyclobutylamino)-5-(Trifluoromethyl)-2-Pyrimidinyl]Amino}-11-Azatricyclo[6.2.1.0~2,7~]Undeca-2,4,6-Trien-11-Yl]-2-Oxoethyl}Acetamide
Properties
| Property | Value |
|---|---|
| Formula | C23H25F3N6O2 |
| IUPAC Name | n-{2-[(1r,8s)-4-{[4-(cyclobutylamino)-5-(trifluoromethyl)-2-pyrimidinyl]amino}-11-azatricyclo[6.2.1.0 2,7 ]undeca-2,4,6-trien-11-yl]-2-oxoethyl}acetamide |
| Molecular Mass | 474.479 g·mol−1 |
| Heat of Formation | -687.2 ± 16.7 kJ·mol−1 |
| Dipole Moment | 5.01 ± 1.08 D |
| Volume | 540.72 Å 3 |
| Surface Area | 454.57 Å 2 |
| HOMO Energy | -9.07 ± 0.55 eV |
| LUMO Energy | 2.11 ± eV |
| Point Group Symmetry | C1 |
| InChIKey | RYYNGWLOYLRZLK-RBUKOAKNSA-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 |