Quin C1

Chemical Information
structure in first source
| CAS Number | 786706-21-6 |
| PubChem CID | 11751175 |
| IUPAC Name | 4-butoxy-N-[2-(4-methoxyphenyl)-4-oxo-1,2-dihydroquinazolin-3-yl]benzamide |
| Molecular Formula | C26H27N3O4 |
| Molecular Weight | 445.5 |
| XLogP | 5.1 |
| Topological Polar Surface Area | 79.9 |
| Hydrogen Bond Donor Count | 2 |
| Hydrogen Bond Acceptor Count | 5 |
| Rotatable Bond Count | 7 |
| Heavy Atom Count | 33 |
| Formal Charge | 0 |
| Complexity | 643 |
| Property | Value |
|---|---|
| Molecular Weight | 445.5 |
| XLogP3 | 5.1 |
| Hydrogen Bond Donor Count | 2 |
| Hydrogen Bond Acceptor Count | 5 |
| Rotatable Bond Count | 7 |
| Exact Mass | 445.20015635 |
| Monoisotopic Mass | 445.20015635 |
| Topological Polar Surface Area | 79.9 Ų |
| Heavy Atom Count | 33 |
| Formal Charge | 0 |
| Complexity | 643 |
| 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 |
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