956929-90-1
Product Name:
(1S,2S,3S)-methyl 1-acetyl-3-cyano-7-methoxy-2-(4-nitrophenyl)-1,2,3,3a-tetrahydropyrrolo[1,2-a]quinoline-3-carboxylate
Formula:
C24H21N3O6
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COMPUTED DESCRIPTORS
| Molecular Weight | 447.4 g/mol |
|---|---|
| XLogP3 | 3.2 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 8 |
| Rotatable Bond Count | 5 |
| Exact Mass | 447.14303540 g/mol |
| Monoisotopic Mass | 447.14303540 g/mol |
| Topological Polar Surface Area | 125 Ų |
| Heavy Atom Count | 33 |
| Formal Charge | 0 |
| Complexity | 882 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 3 |
| Undefined Atom Stereocenter Count | 1 |
| Defined Bond Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| Covalently-Bonded Unit Count | 1 |
| Compound Is Canonicalized | Yes |