5-[[(1R,2S)-2-Aminocyclohexyl]Amino]-7-(3,5-Dimethoxyanilino)-2-(3-Hydroxyphenyl)-3H-[1,2,4]Triazolo[1,5-C]Pyrimidin-4-Ium-8-Carboxamide
Properties
Property | Value |
---|---|
Formula | C26H31N8O4+ |
IUPAC Name | 5-[[(1r,2s)-2-aminocyclohexyl]amino]-7-(3,5-dimethoxyanilino)-2-(3-hydroxyphenyl)-3h-[1,2,4]triazolo[1,5-c]pyrimidin-4-ium-8-carboxamide |
Molecular Mass | 519.576 g·mol−1 |
Heat of Formation | -191.5 ± 16.7 kJ·mol−1 |
Dipole Moment | 9.77 ± 1.08 D |
Volume | 600.37 Å 3 |
Surface Area | 507.9 Å 2 |
Point Group Symmetry | C1 |
InChIKey | BHSYIPGQRMVGSZ-VQTJNVASSA-O |
QR Code | Generate QR Code |
Links | PubChem |
DOI | |
Downloads | Get JSON data Get MOL2 data Get SVG Image |
Elements | H C O N |