312315-97-2
Product Name:
ethyl 2-(2-amino-3-cyano-4-{3-nitrophenyl}-5-oxo-5,6,7,8-tetrahydro-1(4H)-quinolinyl)-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylate
Formula:
C28H28N4O5S
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COMPUTED DESCRIPTORS
| Molecular Weight | 532.6 g/mol |
|---|---|
| XLogP3 | 5.5 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 9 |
| Rotatable Bond Count | 5 |
| Exact Mass | 532.17804118 g/mol |
| Monoisotopic Mass | 532.17804118 g/mol |
| Topological Polar Surface Area | 171 Ų |
| Heavy Atom Count | 38 |
| Formal Charge | 0 |
| Complexity | 1100 |
| 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 |