442668-83-9
Product Name:
2-{[4-cyclohexyl-5-(pyridin-3-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-[5-oxo-7-(thiophen-2-yl)-5,6,7,8-tetrahydroquinazolin-2-yl]acetamide
Formula:
C27H27N7O2S2
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COMPUTED DESCRIPTORS
| Molecular Weight | 545.7 g/mol |
|---|---|
| XLogP3 | 3.3 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 9 |
| Rotatable Bond Count | 7 |
| Exact Mass | 545.16676548 g/mol |
| Monoisotopic Mass | 545.16676548 g/mol |
| Topological Polar Surface Area | 169 Ų |
| Heavy Atom Count | 38 |
| Formal Charge | 0 |
| Complexity | 831 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 0 |
| Undefined Atom Stereocenter Count | 1 |
| Defined Bond Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| Covalently-Bonded Unit Count | 1 |
| Compound Is Canonicalized | Yes |