(1R,2S,3R,4R)-3-[(5-Fluoro-2-{[3-Methyl-4-(4-Methyl-1-Piperazinyl)Phenyl]Amino}-4-Pyrimidinyl)Amino]Bicyclo[2.2.1]Hept-5-Ene-2-Carboxamide
Properties
Property | Value |
---|---|
Formula | C24H30FN7O |
IUPAC Name | (1s,2s,3s,4r)-3-[[5-fluoro-2-[3-methyl-4-(4-methylpiperazin-1-yl)anilino]pyrimidin-4-yl]amino]bicyclo[2.2.1]hept-5-ene-2-carboxamide |
Molecular Mass | 451.540 g·mol−1 |
Heat of Formation | 45.2 ± 16.7 kJ·mol−1 |
Dipole Moment | 2.64 ± 1.08 D |
Volume | 542.64 Å 3 |
Surface Area | 458.32 Å 2 |
HOMO Energy | -8.31 ± 0.55 eV |
LUMO Energy | -0.32 ± eV |
Point Group Symmetry | C1 |
InChIKey | KSOVGRCOLZZTPF-ALGWMNEGSA-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 |