339012-01-0
Product Name:
11-[3-CHLORO-5-(TRIFLUOROMETHYL)-2-PYRIDINYL]-5,11,12,12A-TETRAHYDROPYRAZOLO[3',4':4,5]PYRIDO[2,1-A]ISOQUINOLIN-8(6H)-ONE
Formula:
C20H14ClF3N4O
Inquiry
COMPUTED DESCRIPTORS
Molecular Weight | 418.8 g/mol |
---|---|
XLogP3 | 3.8 |
Hydrogen Bond Donor Count | 0 |
Hydrogen Bond Acceptor Count | 6 |
Rotatable Bond Count | 1 |
Exact Mass | 418.0808233 g/mol |
Monoisotopic Mass | 418.0808233 g/mol |
Topological Polar Surface Area | 51 Ų |
Heavy Atom Count | 29 |
Formal Charge | 0 |
Complexity | 650 |
Isotope Atom Count | 0 |
Defined Atom Stereocenter Count | 0 |
Undefined Atom Stereocenter Count | 1 |
Defined Bond Stereocenter Count | 0 |
Undefined Bond Stereocenter Count | 0 |
Covalently-Bonded Unit Count | 1 |
Compound Is Canonicalized | Yes |