N-(4-{4-Amino-1-[Trans-4-(4-Methyl-1-Piperazinyl)Cyclohexyl]-1H-Pyrazolo[3,4-D]Pyrimidin-3-Yl}-2-Methoxyphenyl)-1-Methyl-1H-Indole-2-Carboxamide
Properties
Property | Value |
---|---|
Formula | C33H39N9O2 |
IUPAC Name | [4-[4-amino-1-[4-(4-methylpiperazin-1-yl)cyclohexyl]pyrazolo[3,4-d]pyrimidine-5,7-diium-3a-id-3-yl]-2-methoxy-benzene-6-id-1-yl]-(1-methyl-4,5,6,7-tetrahydro-3h-indol-1-ium-3,4,5,6,7-pentaide-2-carbonyl)azanide |
Molecular Mass | 593.722 g·mol−1 |
Heat of Formation | 248.4 ± 16.7 kJ·mol−1 |
Dipole Moment | 5.84 ± 1.08 D |
Volume | 712.42 Å 3 |
Surface Area | 604.65 Å 2 |
HOMO Energy | -8.61 ± 0.55 eV |
LUMO Energy | 2.43 ± eV |
Point Group Symmetry | C1 |
Synonyms |
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InChIKey | STVKLDUINKMZFE-RQNOJGIXSA-N |
QR Code | Generate QR Code |
Links | PubChem ChemSpider |
DOI | |
Downloads | Get JSON data Get MOL2 data Get SVG Image |
Elements | H C O N |