604741-41-5
Product Name:
Isothiazolo[4,5-d]pyrimidine, 7-(4-cyclopentyl-1-piperazinyl)-3-(4-methoxyphenyl)- (9CI)
Formula:
C21H25N5OS
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COMPUTED DESCRIPTORS
| Molecular Weight | 395.5 g/mol |
|---|---|
| XLogP3 | 3.9 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 7 |
| Rotatable Bond Count | 4 |
| Exact Mass | 395.17798161 g/mol |
| Monoisotopic Mass | 395.17798161 g/mol |
| Topological Polar Surface Area | 82.6 Ų |
| Heavy Atom Count | 28 |
| Formal Charge | 0 |
| Complexity | 503 |
| 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 |