388572-68-7
Product Name:
4-CHLORO-6,7-DIHYDRO-2-(METHYLTHIO)-7-PHENYL-(5H)-PYRROLO[2,3-D]PYRIMIDINE
Formula:
C13H12ClN3S
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COMPUTED DESCRIPTORS
| Molecular Weight | 277.77 g/mol |
|---|---|
| XLogP3 | 4.1 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 4 |
| Rotatable Bond Count | 2 |
| Exact Mass | 277.0440463 g/mol |
| Monoisotopic Mass | 277.0440463 g/mol |
| Topological Polar Surface Area | 54.3 Ų |
| Heavy Atom Count | 18 |
| Formal Charge | 0 |
| Complexity | 285 |
| 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 |