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
Inquiry
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 |