337495-92-8
Product Name:
3-allyl-2-[(2-oxo-2-phenylethyl)sulfanyl]-5,6-dihydrospiro(benzo[h]quinazoline-5,1'-cyclohexane)-4(3H)-one
Formula:
C28H28N2O2S
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COMPUTED DESCRIPTORS
| Molecular Weight | 456.6 g/mol |
|---|---|
| XLogP3 | 6.7 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 4 |
| Rotatable Bond Count | 6 |
| Exact Mass | 456.18714931 g/mol |
| Monoisotopic Mass | 456.18714931 g/mol |
| Topological Polar Surface Area | 75 Ų |
| Heavy Atom Count | 33 |
| Formal Charge | 0 |
| Complexity | 848 |
| 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 |