1436004-52-2
Product Name:
N-[2-(1H-imidazol-5-yl)ethyl]-1-oxo-2-(3,4,5-trifluorophenyl)isoquinoline-4-carboxamide
Formula:
C21H15F3N4O2
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COMPUTED DESCRIPTORS
| Molecular Weight | 412.4 g/mol |
|---|---|
| XLogP3 | 2.5 |
| Hydrogen Bond Donor Count | 2 |
| Hydrogen Bond Acceptor Count | 6 |
| Rotatable Bond Count | 5 |
| Exact Mass | 412.11471022 g/mol |
| Monoisotopic Mass | 412.11471022 g/mol |
| Topological Polar Surface Area | 78.1 Ų |
| Heavy Atom Count | 30 |
| Formal Charge | 0 |
| Complexity | 679 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 0 |
| Undefined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| Covalently-Bonded Unit Count | 1 |
| Compound Is Canonicalized | Yes |