603975-66-2
Product Name:
Isothiazolo[4,5-d]pyrimidine, 3-(4-fluorophenyl)-7-(1-piperazinyl)- (9CI)
Formula:
C15H14FN5S
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COMPUTED DESCRIPTORS
| Molecular Weight | 315.4 g/mol |
|---|---|
| XLogP3 | 2.3 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 7 |
| Rotatable Bond Count | 2 |
| Exact Mass | 315.09539480 g/mol |
| Monoisotopic Mass | 315.09539480 g/mol |
| Topological Polar Surface Area | 82.2 Ų |
| Heavy Atom Count | 22 |
| Formal Charge | 0 |
| Complexity | 373 |
| 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 |