1005068-80-3
Product Name:
5-(3-CHLOROPHENYL)-2-(1,2,3,4-TETRAHYDRO-1-ISOQUINOLINYL)-4-(1H-1,2,4-TRIAZOL-1-YL)-1,3-CYCLOHEXANEDIONE
Formula:
C23H21ClN4O2
Inquiry
COMPUTED DESCRIPTORS
| Molecular Weight | 420.9 g/mol |
|---|---|
| XLogP3 | 3.2 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 5 |
| Rotatable Bond Count | 3 |
| Exact Mass | 420.1353036 g/mol |
| Monoisotopic Mass | 420.1353036 g/mol |
| Topological Polar Surface Area | 76.9 Ų |
| Heavy Atom Count | 30 |
| Formal Charge | 0 |
| Complexity | 661 |
| 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 |