1005119-26-5
Product Name:
5-(2-Chloro-6-fluorophenyl)-3-hydroxy-2-(1,2,3,4-tetrahydro-1-isoquinolinyl)-4-(1H-1,2,4-triazol-1-yl)-2-cyclohexen-1-one
Formula:
C23H20ClFN4O2
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COMPUTED DESCRIPTORS
| Molecular Weight | 438.9 g/mol |
|---|---|
| XLogP3 | 2.9 |
| Hydrogen Bond Donor Count | 2 |
| Hydrogen Bond Acceptor Count | 6 |
| Rotatable Bond Count | 3 |
| Exact Mass | 438.1258817 g/mol |
| Monoisotopic Mass | 438.1258817 g/mol |
| Topological Polar Surface Area | 80 Ų |
| Heavy Atom Count | 31 |
| Formal Charge | 0 |
| Complexity | 722 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 0 |
| Undefined Atom Stereocenter Count | 3 |
| Defined Bond Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| Covalently-Bonded Unit Count | 1 |
| Compound Is Canonicalized | Yes |