478256-86-9
Product Name:
2-(4-[(4-BROMOPHENYL)SULFONYL]-1,4-DIAZEPAN-1-YL)-4,6-DIMETHYLNICOTINONITRILE
Formula:
C19H21BrN4O2S
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COMPUTED DESCRIPTORS
| Molecular Weight | 449.4 g/mol |
|---|---|
| XLogP3 | 3.5 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 6 |
| Rotatable Bond Count | 3 |
| Exact Mass | 448.05686 g/mol |
| Monoisotopic Mass | 448.05686 g/mol |
| Topological Polar Surface Area | 85.7 Ų |
| Heavy Atom Count | 27 |
| Formal Charge | 0 |
| Complexity | 650 |
| 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 |