488859-44-5
Product Name:
methyl 2-((5-oxo-4-phenethyl-4,5,6,7,8,9-hexahydrobenzo[4,5]thieno[3,2-e][1,2,4]triazolo[4,3-a]pyrimidin-1-yl)thio)acetate
Formula:
C22H22N4O3S2
Inquiry
COMPUTED DESCRIPTORS
| Molecular Weight | 454.6 g/mol |
|---|---|
| XLogP3 | 4.5 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 7 |
| Rotatable Bond Count | 7 |
| Exact Mass | 454.11333292 g/mol |
| Monoisotopic Mass | 454.11333292 g/mol |
| Topological Polar Surface Area | 131 Ų |
| Heavy Atom Count | 31 |
| Formal Charge | 0 |
| Complexity | 677 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 0 |
| Undefined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| Covalently-Bonded Unit Count | 1 |
| Compound Is Canonicalized | Yes |