338793-10-5
Product Name:
1-([3-CHLORO-5-(TRIFLUOROMETHYL)-2-PYRIDINYL]METHYL)-N-PHENYL-3,4-DIHYDRO-2(1H)-ISOQUINOLINECARBOXAMIDE
Formula:
C23H19ClF3N3O
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COMPUTED DESCRIPTORS
| Molecular Weight | 445.9 g/mol |
|---|---|
| XLogP3 | 5.1 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 5 |
| Rotatable Bond Count | 3 |
| Exact Mass | 445.1168744 g/mol |
| Monoisotopic Mass | 445.1168744 g/mol |
| Topological Polar Surface Area | 45.2 Ų |
| Heavy Atom Count | 31 |
| Formal Charge | 0 |
| Complexity | 613 |
| 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 |