685108-21-8
Product Name:
4-[2,3-Dimethoxy-8-oxo-5,8,12,12a-tetrahydropyrazolo[3',4':4,5]pyrido[2,1-a]isoquinolin-11(6H)-yl]benzenecarbonitrile
Formula:
C23H20N4O3
Inquiry
COMPUTED DESCRIPTORS
| Molecular Weight | 400.4 g/mol |
|---|---|
| XLogP3 | 2.6 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 5 |
| Rotatable Bond Count | 3 |
| Exact Mass | 400.15354051 g/mol |
| Monoisotopic Mass | 400.15354051 g/mol |
| Topological Polar Surface Area | 80.4 Ų |
| Heavy Atom Count | 30 |
| Formal Charge | 0 |
| Complexity | 700 |
| 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 |