77198-36-8
Product Name:
ethyl 3-amino-2,4-dicyano-1-phenyl-6,7,8,8a-tetrahydro-1H-naphthalene-2-carboxylate
Formula:
C21H21N3O2
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COMPUTED DESCRIPTORS
| Molecular Weight | 347.4 g/mol |
|---|---|
| XLogP3 | 3.1 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 5 |
| Rotatable Bond Count | 4 |
| Exact Mass | 347.16337692 g/mol |
| Monoisotopic Mass | 347.16337692 g/mol |
| Topological Polar Surface Area | 99.9 Ų |
| Heavy Atom Count | 26 |
| Formal Charge | 0 |
| Complexity | 742 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 0 |
| Undefined Atom Stereocenter Count | 3 |
| Defined Bond Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| Covalently-Bonded Unit Count | 1 |
| Compound Is Canonicalized | Yes |