956938-06-0
Product Name:
(1S,2S,3aR)-1-acetyl-2-(3-ethoxy-4-propan-2-yloxyphenyl)-2,3a-dihydro-1H-pyrrolo[1,2-a]quinoline-3,3-dicarbonitrile
Formula:
C27H27N3O3
Inquiry
COMPUTED DESCRIPTORS
| Molecular Weight | 441.5 g/mol |
|---|---|
| XLogP3 | 4.4 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 6 |
| Rotatable Bond Count | 6 |
| Exact Mass | 441.20524173 g/mol |
| Monoisotopic Mass | 441.20524173 g/mol |
| Topological Polar Surface Area | 86.4 Ų |
| Heavy Atom Count | 33 |
| Formal Charge | 0 |
| Complexity | 848 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 3 |
| Undefined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| Covalently-Bonded Unit Count | 1 |
| Compound Is Canonicalized | Yes |