797766-15-5
Product Name:
(2E)-3-(azepan-1-yl)-2-[5-[(3-chloro-4-methylphenyl)methyl]-4-oxo-3-phenyl-1,3-thiazolidin-2-ylidene]-3-oxopropanenitrile
Formula:
C26H26ClN3O2S
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COMPUTED DESCRIPTORS
| Molecular Weight | 480.0 g/mol |
|---|---|
| XLogP3 | 5.5 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 4 |
| Rotatable Bond Count | 4 |
| Exact Mass | 479.1434259 g/mol |
| Monoisotopic Mass | 479.1434259 g/mol |
| Topological Polar Surface Area | 89.7 Ų |
| Heavy Atom Count | 33 |
| Formal Charge | 0 |
| Complexity | 808 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 0 |
| Undefined Atom Stereocenter Count | 1 |
| Defined Bond Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| Covalently-Bonded Unit Count | 1 |
| Compound Is Canonicalized | Yes |