303985-76-4
Product Name:
2-[(2-CHLOROBENZYL)SULFANYL]-4-(ISOPROPYLAMINO)-6-PHENYL-5-PYRIMIDINECARBONITRILE
Formula:
C21H19ClN4S
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COMPUTED DESCRIPTORS
| Molecular Weight | 394.9 g/mol |
|---|---|
| XLogP3 | 6.2 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 5 |
| Rotatable Bond Count | 6 |
| Exact Mass | 394.1018955 g/mol |
| Monoisotopic Mass | 394.1018955 g/mol |
| Topological Polar Surface Area | 86.9 Ų |
| Heavy Atom Count | 27 |
| Formal Charge | 0 |
| Complexity | 502 |
| 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 |