6-Fluoro-4-[(3Ar,6Ar)-Hexahydropyrrolo[3,4-B]Pyrrol-5(1H)-Yl]-N-Methyl-2-[(2-Methyl-5-Pyrimidinyl)Oxy]-9H-Pyrimido[4,5-B]Indol-8-Amine
Properties
Property | Value |
---|---|
Formula | C22H23FN8O |
IUPAC Name | 4-[(3ar,6ar)-2,3,3a,4,6,6a-hexahydro-1h-pyrrolo[2,3-c]pyrrol-5-yl]-6-fluoro-n-methyl-2-(2-methylpyrimidin-5-yl)oxy-9h-pyrimido[4,5-b]indol-8-amine |
Molecular Mass | 434.469 g·mol−1 |
Heat of Formation | 146.5 ± 16.7 kJ·mol−1 |
Dipole Moment | 5.52 ± 1.08 D |
Volume | 489.74 Å 3 |
Surface Area | 427.73 Å 2 |
HOMO Energy | -8.48 ± 0.55 eV |
LUMO Energy | -0.83 ± eV |
Point Group Symmetry | C1 |
InChIKey | ACMIJDVJWLMBCX-PXAZEXFGSA-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 |