860644-71-9
Product Name:
3-(2-THIENYL)-7-THIA-1,4,9-TRIAZATETRACYCLO[9.2.2.0(2,10).0(4,8)]PENTADECA-2(10),8-DIEN-5-ONE
Formula:
C15H15N3OS2
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COMPUTED DESCRIPTORS
| Molecular Weight | 317.4 g/mol |
|---|---|
| XLogP3 | 1.9 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 5 |
| Rotatable Bond Count | 1 |
| Exact Mass | 317.06565446 g/mol |
| Monoisotopic Mass | 317.06565446 g/mol |
| Topological Polar Surface Area | 89.4 Ų |
| Heavy Atom Count | 21 |
| Formal Charge | 0 |
| Complexity | 565 |
| 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 |