797796-47-5
Product Name:
1-((2-(4-nitrophenyl)-2-oxoethyl)thio)-4-phenyl-6,7,8,9-tetrahydrobenzo[4,5]thieno[3,2-e][1,2,4]triazolo[4,3-a]pyrimidin-5(4H)-one
Formula:
C25H19N5O4S2
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COMPUTED DESCRIPTORS
| Molecular Weight | 517.6 g/mol |
|---|---|
| XLogP3 | 5.4 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 8 |
| Rotatable Bond Count | 5 |
| Exact Mass | 517.08784645 g/mol |
| Monoisotopic Mass | 517.08784645 g/mol |
| Topological Polar Surface Area | 167 Ų |
| Heavy Atom Count | 36 |
| Formal Charge | 0 |
| Complexity | 860 |
| 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 |