899381-27-2
Product Name:
(Z)-3-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-2-cyano-N-cyclohexylprop-2-enamide
Formula:
C22H28N4O3
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COMPUTED DESCRIPTORS
| Molecular Weight | 396.5 g/mol |
|---|---|
| XLogP3 | 3.3 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 6 |
| Rotatable Bond Count | 5 |
| Exact Mass | 396.21614077 g/mol |
| Monoisotopic Mass | 396.21614077 g/mol |
| Topological Polar Surface Area | 77.8 Ų |
| Heavy Atom Count | 29 |
| Formal Charge | 0 |
| Complexity | 644 |
| 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 |