695205-57-3
Product Name:
4-chloro-N-[4-[(E)-3-phenylprop-2-enyl]piperazine-1-carbothioyl]benzamide
Formula:
C21H22ClN3OS
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COMPUTED DESCRIPTORS
| Molecular Weight | 399.9 g/mol |
|---|---|
| XLogP3 | 4.2 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 3 |
| Rotatable Bond Count | 4 |
| Exact Mass | 399.1172112 g/mol |
| Monoisotopic Mass | 399.1172112 g/mol |
| Topological Polar Surface Area | 67.7 Ų |
| Heavy Atom Count | 27 |
| Formal Charge | 0 |
| Complexity | 520 |
| 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 |