799840-18-9
Product Name:
12-butyl-9-(butylthio)-5H-spiro[benzo[h][1,2,4]triazolo[3,4-b]quinazoline-6,1'-cyclopentan]-7(12H)-one
Formula:
C25H32N4OS
Inquiry
COMPUTED DESCRIPTORS
| Molecular Weight | 436.6 g/mol |
|---|---|
| XLogP3 | 6.7 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 5 |
| Rotatable Bond Count | 7 |
| Exact Mass | 436.22968283 g/mol |
| Monoisotopic Mass | 436.22968283 g/mol |
| Topological Polar Surface Area | 76.3 Ų |
| Heavy Atom Count | 31 |
| Formal Charge | 0 |
| Complexity | 704 |
| 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 |