1-{2-[4-(6-Fluoro-1H-Indol-3-Yl)-3,6-Dihydro-1(2H)-Pyridinyl]Ethyl}-3-Isopropyl-6-(Methylsulfonyl)-3,4-Dihydro-1H-2,1,3-Benzothiadiazine 2,2-Dioxide
Properties
Property | Value |
---|---|
Formula | C26H31FN4O4S2 |
IUPAC Name | (3r)-3-isopropyl-1-[2-[(1r)-4-(4-methyl-1h-pyrrol-3-yl)-3,6-dihydro-2h-pyridin-1-yl]ethyl]-6-methylsulfonyl-4h-2λ6,1,3-benzothiadiazine 2,2-dioxide fluoride |
Molecular Mass | 546.677 g·mol−1 |
Heat of Formation | -562.5 ± 16.7 kJ·mol−1 |
Dipole Moment | 7.02 ± 1.08 D |
Volume | 612.73 Å 3 |
Surface Area | 513.09 Å 2 |
HOMO Energy | -8.56 ± 0.55 eV |
LUMO Energy | -0.73 ± eV |
Point Group Symmetry | C1 |
Synonyms |
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InChIKey | QUSLYAPLTMMCFE-UHFFFAOYSA-N |
QR Code | Generate QR Code |
Links | PubChem ChemSpider |
DOI | |
Downloads | Get JSON data Get MOL2 data Get SVG Image |
Elements | C F H O N S |