328068-36-6
Product Name:
2-[(cyanomethyl)sulfanyl]-3-methyl-4-oxo-3,4,5,6-tetrahydrospiro(benzo[h]quinazoline-5,1'-cyclohexane)
Formula:
C20H21N3OS
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COMPUTED DESCRIPTORS
| Molecular Weight | 351.5 g/mol |
|---|---|
| XLogP3 | 4.4 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 4 |
| Rotatable Bond Count | 2 |
| Exact Mass | 351.14053348 g/mol |
| Monoisotopic Mass | 351.14053348 g/mol |
| Topological Polar Surface Area | 81.8 Ų |
| Heavy Atom Count | 25 |
| Formal Charge | 0 |
| Complexity | 680 |
| 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 |