478256-89-2
Product Name:
4,6-DIMETHYL-2-(4-[(4-METHYLPHENYL)SULFONYL]-1,4-DIAZEPAN-1-YL)NICOTINONITRILE
Formula:
C20H24N4O2S
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COMPUTED DESCRIPTORS
| Molecular Weight | 384.5 g/mol |
|---|---|
| XLogP3 | 3.1 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 6 |
| Rotatable Bond Count | 3 |
| Exact Mass | 384.16199719 g/mol |
| Monoisotopic Mass | 384.16199719 g/mol |
| Topological Polar Surface Area | 85.7 Ų |
| Heavy Atom Count | 27 |
| Formal Charge | 0 |
| Complexity | 645 |
| 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 |