339012-07-6
Product Name:
2-(Methylsulfanyl)-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:
C17H15N5OS
Inquiry
COMPUTED DESCRIPTORS
| Molecular Weight | 337.4 g/mol |
|---|---|
| XLogP3 | 2 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 5 |
| Rotatable Bond Count | 1 |
| Exact Mass | 337.09973129 g/mol |
| Monoisotopic Mass | 337.09973129 g/mol |
| Topological Polar Surface Area | 88.7 Ų |
| Heavy Atom Count | 24 |
| Formal Charge | 0 |
| Complexity | 519 |
| 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 |