840460-97-1
Product Name:
12-isopropyl-9-(isopropylthio)-6,6-dimethyl-5,6-dihydrobenzo[h][1,2,4]triazolo[3,4-b]quinazolin-7(12H)-one
Formula:
C21H26N4OS
Inquiry
COMPUTED DESCRIPTORS
| Molecular Weight | 382.5 g/mol |
|---|---|
| XLogP3 | 4.9 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 5 |
| Rotatable Bond Count | 3 |
| Exact Mass | 382.18273264 g/mol |
| Monoisotopic Mass | 382.18273264 g/mol |
| Topological Polar Surface Area | 76.3 Ų |
| Heavy Atom Count | 27 |
| Formal Charge | 0 |
| Complexity | 644 |
| 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 |