296771-35-2
Product Name:
2-amino-1-{3-nitrophenyl}-5-oxo-4-(3-pyridinyl)-1,4,5,6,7,8-hexahydro-3-quinolinecarbonitrile
Formula:
C21H17N5O3
Inquiry
COMPUTED DESCRIPTORS
| Molecular Weight | 387.4 g/mol |
|---|---|
| XLogP3 | 2.5 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 7 |
| Rotatable Bond Count | 2 |
| Exact Mass | 387.13313942 g/mol |
| Monoisotopic Mass | 387.13313942 g/mol |
| Topological Polar Surface Area | 129 Ų |
| Heavy Atom Count | 29 |
| Formal Charge | 0 |
| Complexity | 818 |
| 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 |