799807-45-7
Product Name:
4-butyl-9-(methylthio)-7-(pyrrolidin-1-yl)-2,3-dihydro-1H-cyclopenta[4',5']pyrido[3',2':4,5]thieno[3,2-d]pyrimidine
Formula:
C21H26N4S2
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COMPUTED DESCRIPTORS
| Molecular Weight | 398.6 g/mol |
|---|---|
| XLogP3 | 6.3 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 6 |
| Rotatable Bond Count | 5 |
| Exact Mass | 398.15988919 g/mol |
| Monoisotopic Mass | 398.15988919 g/mol |
| Topological Polar Surface Area | 95.4 Ų |
| Heavy Atom Count | 27 |
| Formal Charge | 0 |
| Complexity | 514 |
| 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 |