799772-14-8
Product Name:
9-(4-methylphenyl)spiro[3,6,8,9-tetrahydro-1H-pyrido[2,3]thieno[2,4-b]pyrimidine-2,1'-cyclohexane]-4,7-dione
Formula:
C21H23N3O2S
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COMPUTED DESCRIPTORS
| Molecular Weight | 381.5 g/mol |
|---|---|
| XLogP3 | 4 |
| Hydrogen Bond Donor Count | 3 |
| Hydrogen Bond Acceptor Count | 4 |
| Rotatable Bond Count | 1 |
| Exact Mass | 381.15109816 g/mol |
| Monoisotopic Mass | 381.15109816 g/mol |
| Topological Polar Surface Area | 98.5 Ų |
| Heavy Atom Count | 27 |
| Formal Charge | 0 |
| Complexity | 613 |
| 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 |