848682-05-3
Product Name:
9-(isopentylthio)-5H-spiro[benzo[h][1,2,4]triazolo[3,4-b]quinazoline-6,1'-cyclohexan]-7(11H)-one
Formula:
C23H28N4OS
Inquiry
COMPUTED DESCRIPTORS
| Molecular Weight | 408.6 g/mol |
|---|---|
| XLogP3 | 6 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 4 |
| Rotatable Bond Count | 4 |
| Exact Mass | 408.19838270 g/mol |
| Monoisotopic Mass | 408.19838270 g/mol |
| Topological Polar Surface Area | 82.4 Ų |
| Heavy Atom Count | 29 |
| Formal Charge | 0 |
| Complexity | 778 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 0 |
| Undefined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| Covalently-Bonded Unit Count | 1 |
| Compound Is Canonicalized | Yes |