105138-51-0
Product Name:
Pyrazino(1,2-a)(1,4)benzodiazepine, 1,2,3,4,4a,5-hexahydro-3-(3-methyl butyl)-7-(2-thienyl)-, dihydrochloride
Inquiry
COMPUTED DESCRIPTORS
| Molecular Weight | 426.4 g/mol |
|---|---|
| Hydrogen Bond Donor Count | 2 |
| Hydrogen Bond Acceptor Count | 4 |
| Rotatable Bond Count | 4 |
| Exact Mass | 425.1459245 g/mol |
| Monoisotopic Mass | 425.1459245 g/mol |
| Topological Polar Surface Area | 47.1 Ų |
| Heavy Atom Count | 27 |
| Formal Charge | 0 |
| Complexity | 478 |
| 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 | 3 |
| Compound Is Canonicalized | Yes |