845804-66-2
Product Name:
N-allyl-4-(2-(((4-(4-ethylphenyl)-2,6-dioxocyclohexylidene)methyl)amino)ethyl)piperazine-1-carbothioamide
Formula:
C25H34N4O2S
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COMPUTED DESCRIPTORS
| Molecular Weight | 454.6 g/mol |
|---|---|
| XLogP3 | 2.6 |
| Hydrogen Bond Donor Count | 2 |
| Hydrogen Bond Acceptor Count | 5 |
| Rotatable Bond Count | 8 |
| Exact Mass | 454.24024751 g/mol |
| Monoisotopic Mass | 454.24024751 g/mol |
| Topological Polar Surface Area | 100 Ų |
| Heavy Atom Count | 32 |
| Formal Charge | 0 |
| Complexity | 720 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 0 |
| Undefined Atom Stereocenter Count | 1 |
| Defined Bond Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| Covalently-Bonded Unit Count | 1 |
| Compound Is Canonicalized | Yes |