478042-91-0
Product Name:
6-(4-CHLOROPHENYL)-1-(4-METHYLBENZYL)-4-(METHYLSULFANYL)-2-OXO-1,2-DIHYDRO-3-PYRIDINECARBONITRILE
Formula:
C21H17ClN2OS
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COMPUTED DESCRIPTORS
| Molecular Weight | 380.9 g/mol |
|---|---|
| XLogP3 | 4.7 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 3 |
| Rotatable Bond Count | 4 |
| Exact Mass | 380.0750120 g/mol |
| Monoisotopic Mass | 380.0750120 g/mol |
| Topological Polar Surface Area | 69.4 Ų |
| Heavy Atom Count | 26 |
| Formal Charge | 0 |
| Complexity | 646 |
| 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 |