318256-36-9
Product Name:
N-(TERT-BUTYL)-2-[3-(TRIFLUOROMETHYL)BENZOYL]-1,2,3,4-TETRAHYDRO-3-ISOQUINOLINECARBOXAMIDE
Formula:
C22H23F3N2O2
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COMPUTED DESCRIPTORS
| Molecular Weight | 404.4 g/mol |
|---|---|
| XLogP3 | 4.2 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 5 |
| Rotatable Bond Count | 3 |
| Exact Mass | 404.17116247 g/mol |
| Monoisotopic Mass | 404.17116247 g/mol |
| Topological Polar Surface Area | 49.4 Ų |
| Heavy Atom Count | 29 |
| Formal Charge | 0 |
| Complexity | 614 |
| 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 |