303985-65-1
Product Name:
2-(BENZYLSULFANYL)-4-(CYCLOHEXYLAMINO)-6-(4-METHYLPHENYL)-5-PYRIMIDINECARBONITRILE
Formula:
C25H26N4S
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COMPUTED DESCRIPTORS
| Molecular Weight | 414.6 g/mol |
|---|---|
| XLogP3 | 7 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 5 |
| Rotatable Bond Count | 6 |
| Exact Mass | 414.18781802 g/mol |
| Monoisotopic Mass | 414.18781802 g/mol |
| Topological Polar Surface Area | 86.9 Ų |
| Heavy Atom Count | 30 |
| Formal Charge | 0 |
| Complexity | 555 |
| 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 |