2-[8-(1,3-Benzothiazol-2-Ylcarbamoyl)-3,4-Dihydro-2(1H)-Isoquinolinyl]-5-{3-[4-(1H-Pyrazolo[3,4-D]Pyrimidin-1-Yl)Phenoxy]Propyl}-1,3-Thiazole-4-Carboxylic Acid
Properties
Property | Value |
---|---|
Formula | C35H28N8O4S2 |
IUPAC Name | 2-[8-(1,3-benzothiazol-2-ylcarbamoyl)-3,4-dihydro-1h-isoquinolin-2-yl]-5-[3-(4-pyrazolo[3,4-d]pyrimidin-1-ylphenoxy)propyl]thiazole-4-carboxylic acid |
Molecular Mass | 688.778 g·mol−1 |
Heat of Formation | 260.3 ± 16.7 kJ·mol−1 |
Dipole Moment | 5.03 ± 1.08 D |
Volume | 771.17 Å 3 |
Surface Area | 654.32 Å 2 |
HOMO Energy | -8.69 ± 0.55 eV |
LUMO Energy | 1.89 ± eV |
Point Group Symmetry | C1 |
InChIKey | LMOJCFKMCAPGGY-UHFFFAOYSA-N |
QR Code | Generate QR Code |
Links | PubChem ChemSpider |
DOI | |
Downloads | Get JSON data Get MOL2 data Get SVG Image |
Elements | H C S O N |