303985-67-3
Product Name:
4-(ALLYLAMINO)-6-PHENYL-2-([3-(TRIFLUOROMETHYL)BENZYL]SULFANYL)-5-PYRIMIDINECARBONITRILE
Formula:
C22H17F3N4S
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COMPUTED DESCRIPTORS
| Molecular Weight | 426.5 g/mol |
|---|---|
| XLogP3 | 6.3 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 8 |
| Rotatable Bond Count | 7 |
| Exact Mass | 426.11260222 g/mol |
| Monoisotopic Mass | 426.11260222 g/mol |
| Topological Polar Surface Area | 86.9 Ų |
| Heavy Atom Count | 30 |
| Formal Charge | 0 |
| Complexity | 599 |
| 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 |