4-[(1S,5R,6R)-6-Amino-1-Methyl-3-Azabicyclo[3.2.0]Hept-3-Yl]-6-Fluoro-N-Methyl-2-[(2-Methyl-5-Pyrimidinyl)Oxy]-9H-Pyrimido[4,5-B]Indol-8-Amine
Properties
| Property | Value |
|---|---|
| Formula | C23H25FN8O |
| IUPAC Name | 4-[(1r,3r,5s,7r)-7-amino-5-methyl-3-azabicyclo[3.2.0]heptan-3-yl]-6-fluoro-n-methyl-2-(2-methylpyrimidin-5-yl)oxy-5h-pyrimido[4,5-b]indol-9-ium-5-id-8-amine |
| Molecular Mass | 448.496 g·mol−1 |
| Heat of Formation | 152.6 ± 16.7 kJ·mol−1 |
| Dipole Moment | 3.20 ± 1.08 D |
| Volume | 513.98 Å 3 |
| Surface Area | 440.28 Å 2 |
| HOMO Energy | -8.47 ± 0.55 eV |
| LUMO Energy | -0.83 ± eV |
| Point Group Symmetry | C1 |
| InChIKey | UYSFLJHCRMWPCF-CKNGIIGNSA-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 |