311330-83-3
Product Name:
2-amino-4-(1,3-benzodioxol-5-yl)-1-(4-chlorophenyl)-5-oxo-1,4,5,6,7,8-hexahydro-3-quinolinecarbonitrile
Formula:
C23H18ClN3O3
Inquiry
COMPUTED DESCRIPTORS
| Molecular Weight | 419.9 g/mol |
|---|---|
| XLogP3 | 4.1 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 6 |
| Rotatable Bond Count | 2 |
| Exact Mass | 419.1036691 g/mol |
| Monoisotopic Mass | 419.1036691 g/mol |
| Topological Polar Surface Area | 88.6 Ų |
| Heavy Atom Count | 30 |
| Formal Charge | 0 |
| Complexity | 836 |
| 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 |