133211-48-0
Product Name:
2-ETHYL-3-THIOXO-2,3,10,10A-TETRAHYDROIMIDAZO[1,5-B]ISOQUINOLIN-1(5H)-ONE
Formula:
C13H14N2OS
Inquiry
COMPUTED DESCRIPTORS
| Molecular Weight | 246.33 g/mol |
|---|---|
| XLogP3 | 1.8 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 2 |
| Rotatable Bond Count | 1 |
| Exact Mass | 246.08268425 g/mol |
| Monoisotopic Mass | 246.08268425 g/mol |
| Topological Polar Surface Area | 55.6 Ų |
| Heavy Atom Count | 17 |
| Formal Charge | 0 |
| Complexity | 357 |
| 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 |