487020-87-1
Product Name:
6-[4-(4-phenylquinazolin-2-yl)piperazin-4-ium-1-carbonyl]cyclohex-3-ene-1-carboxylate
Formula:
C26H26N4O3
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COMPUTED DESCRIPTORS
| Molecular Weight | 442.5 g/mol |
|---|---|
| XLogP3 | 3.6 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 6 |
| Rotatable Bond Count | 4 |
| Exact Mass | 442.20049070 g/mol |
| Monoisotopic Mass | 442.20049070 g/mol |
| Topological Polar Surface Area | 86.6 Ų |
| Heavy Atom Count | 33 |
| Formal Charge | 0 |
| Complexity | 729 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 0 |
| Undefined Atom Stereocenter Count | 2 |
| Defined Bond Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| Covalently-Bonded Unit Count | 1 |
| Compound Is Canonicalized | Yes |