750601-57-1
Product Name:
4H-Cyclohepta[4,5]thieno[2,3-d]pyrimidin-4-one, 1,2,3,5,6,7,8,9-octahydro-3-(1-methylpropyl)-2-thioxo-
Formula:
C15H20N2OS2
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COMPUTED DESCRIPTORS
| Molecular Weight | 308.5 g/mol |
|---|---|
| XLogP3 | 4.3 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 3 |
| Rotatable Bond Count | 2 |
| Exact Mass | 308.10170561 g/mol |
| Monoisotopic Mass | 308.10170561 g/mol |
| Topological Polar Surface Area | 92.7 Ų |
| Heavy Atom Count | 20 |
| Formal Charge | 0 |
| Complexity | 415 |
| 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 |