498538-11-7
Product Name:
3-(2-methylphenyl)-2-(2-oxo-2-piperidin-1-ylethyl)sulfanylspiro[6H-benzo[h]quinazoline-5,1'-cyclohexane]-4-one
Formula:
C31H35N3O2S
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COMPUTED DESCRIPTORS
| Molecular Weight | 513.7 g/mol |
|---|---|
| XLogP3 | 6.9 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 4 |
| Rotatable Bond Count | 4 |
| Exact Mass | 513.24499854 g/mol |
| Monoisotopic Mass | 513.24499854 g/mol |
| Topological Polar Surface Area | 78.3 Ų |
| Heavy Atom Count | 37 |
| Formal Charge | 0 |
| Complexity | 946 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 0 |
| Undefined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| Covalently-Bonded Unit Count | 1 |
| Compound Is Canonicalized | Yes |