318256-35-8
Product Name:
N-(TERT-BUTYL)-2-[2,6-DINITRO-4-(TRIFLUOROMETHYL)PHENYL]-1,2,3,4-TETRAHYDRO-3-ISOQUINOLINECARBOXAMIDE
Formula:
C21H21F3N4O5
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COMPUTED DESCRIPTORS
| Molecular Weight | 466.4 g/mol |
|---|---|
| XLogP3 | 4.5 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 9 |
| Rotatable Bond Count | 3 |
| Exact Mass | 466.14640427 g/mol |
| Monoisotopic Mass | 466.14640427 g/mol |
| Topological Polar Surface Area | 124 Ų |
| Heavy Atom Count | 33 |
| Formal Charge | 0 |
| Complexity | 737 |
| 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 |