620149-97-5
Product Name:
6-(4-ethylpiperazin-1-yl)-1,4-dimethyl-5-[(Z)-[3-(2-methylpropyl)-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene]methyl]-2-oxopyridine-3-carbonitrile
Formula:
C22H29N5O2S2
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COMPUTED DESCRIPTORS
| Molecular Weight | 459.6 g/mol |
|---|---|
| XLogP3 | 2.7 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 7 |
| Rotatable Bond Count | 5 |
| Exact Mass | 459.17626753 g/mol |
| Monoisotopic Mass | 459.17626753 g/mol |
| Topological Polar Surface Area | 128 Ų |
| Heavy Atom Count | 31 |
| Formal Charge | 0 |
| Complexity | 948 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 0 |
| Undefined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| Covalently-Bonded Unit Count | 1 |
| Compound Is Canonicalized | Yes |