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 |