1005273-48-2
Product Name:
5-(2-FURYL)-2-(1,2,3,4-TETRAHYDRO-1-ISOQUINOLINYL)-4-(1H-1,2,4-TRIAZOL-1-YL)-1,3-CYCLOHEXANEDIONE
Formula:
C21H20N4O3
Inquiry
COMPUTED DESCRIPTORS
Molecular Weight | 376.4 g/mol |
---|---|
XLogP3 | 1.7 |
Hydrogen Bond Donor Count | 1 |
Hydrogen Bond Acceptor Count | 6 |
Rotatable Bond Count | 3 |
Exact Mass | 376.15354051 g/mol |
Monoisotopic Mass | 376.15354051 g/mol |
Topological Polar Surface Area | 90 Ų |
Heavy Atom Count | 28 |
Formal Charge | 0 |
Complexity | 615 |
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 |