344263-06-5
Product Name:
2-(BENZYLSULFANYL)-8,9,13B,14-TETRAHYDRO-6H-[1,2,4]TRIAZOLO[5'',1'':2',3']PYRIMIDO[4',5':4,5]PYRIDO[2,1-A]ISOQUINOLIN-6-ONE
Formula:
C23H19N5OS
Inquiry
COMPUTED DESCRIPTORS
| Molecular Weight | 413.5 g/mol |
|---|---|
| XLogP3 | 3.5 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 5 |
| Rotatable Bond Count | 3 |
| Exact Mass | 413.13103142 g/mol |
| Monoisotopic Mass | 413.13103142 g/mol |
| Topological Polar Surface Area | 88.7 Ų |
| Heavy Atom Count | 30 |
| Formal Charge | 0 |
| Complexity | 643 |
| 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 |