303985-73-1
Product Name:
2-[(2-CHLOROBENZYL)SULFANYL]-4-(DIETHYLAMINO)-6-PHENYL-5-PYRIMIDINECARBONITRILE
Formula:
C22H21ClN4S
Inquiry
COMPUTED DESCRIPTORS
| Molecular Weight | 408.9 g/mol |
|---|---|
| XLogP3 | 5.7 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 5 |
| Rotatable Bond Count | 7 |
| Exact Mass | 408.1175456 g/mol |
| Monoisotopic Mass | 408.1175456 g/mol |
| Topological Polar Surface Area | 78.1 Ų |
| Heavy Atom Count | 28 |
| Formal Charge | 0 |
| Complexity | 514 |
| 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 |