(1S,7S,8R)-4-Amino-10-[5-(6-Bromo-1H-Indol-3-Yl)-6-Oxo-1,6-Dihydro-2-Pyrazinyl]-1-Hydroxy-7-Methyl-3,5,12-Triazatetracyclo[6.6.1.0~2,6~.0~9,13~]Pentadeca-2(6),3,10-Trien-14-One
Properties
| Property | Value |
|---|---|
| Formula | C25H22BrN7O3 |
| IUPAC Name | (1s,7s,8r)-4-amino-10-[5-(6-bromo-1h-indol-3-yl)-6-oxo-1,6-dihydro-2-pyrazinyl]-1-hydroxy-7-methyl-3,5,12-triazatetracyclo[6.6.1.0 2,6 .0 9,13 ]pentadeca-2(6),3,10-trien-14-one |
| Molecular Mass | 548.391 g·mol−1 |
| Heat of Formation | 32.0 ± 16.7 kJ·mol−1 |
| Dipole Moment | 3.88 ± 1.08 D |
| Volume | 551.45 Å 3 |
| Surface Area | 453.77 Å 2 |
| HOMO Energy | -8.22 ± 0.55 eV |
| LUMO Energy | 1.88 ± eV |
| Point Group Symmetry | C1 |
| InChIKey | IIJUQWOGZFHFTN-SURIHJFXSA-N |
| QR Code | Generate QR Code |
| Links | PubChem ChemSpider |
| DOI | |
| Downloads | Get JSON data Get MOL2 data Get SVG Image |
| Elements | H C O Br N |