1005039-85-9
Product Name:
5-[2-(3-CHLOROPHENOXY)PHENYL]-2-(1,2,3,4-TETRAHYDRO-1-ISOQUINOLINYL)-4-(1H-1,2,4-TRIAZOL-1-YL)-1,3-CYCLOHEXANEDIONE
Formula:
C29H25ClN4O3
Inquiry
COMPUTED DESCRIPTORS
| Molecular Weight | 513.0 g/mol |
|---|---|
| XLogP3 | 4.7 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 6 |
| Rotatable Bond Count | 5 |
| Exact Mass | 512.1615184 g/mol |
| Monoisotopic Mass | 512.1615184 g/mol |
| Topological Polar Surface Area | 86.1 Ų |
| Heavy Atom Count | 37 |
| Formal Charge | 0 |
| Complexity | 829 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 0 |
| Undefined Atom Stereocenter Count | 4 |
| Defined Bond Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| Covalently-Bonded Unit Count | 1 |
| Compound Is Canonicalized | Yes |