321998-81-6
Product Name:
4-(2-([3-CHLORO-5-(TRIFLUOROMETHYL)-2-PYRIDINYL]AMINO)ETHYL)-9-HYDROXY-3,5-DIOXO-4-AZATRICYCLO[5.2.1.0(2,6)]DECANE-8-CARBONITRILE
Formula:
C18H16ClF3N4O3
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COMPUTED DESCRIPTORS
Molecular Weight | 428.8 g/mol |
---|---|
XLogP3 | 1.7 |
Hydrogen Bond Donor Count | 2 |
Hydrogen Bond Acceptor Count | 9 |
Rotatable Bond Count | 4 |
Exact Mass | 428.0863026 g/mol |
Monoisotopic Mass | 428.0863026 g/mol |
Topological Polar Surface Area | 106 Ų |
Heavy Atom Count | 29 |
Formal Charge | 0 |
Complexity | 756 |
Isotope Atom Count | 0 |
Defined Atom Stereocenter Count | 0 |
Undefined Atom Stereocenter Count | 6 |
Defined Bond Stereocenter Count | 0 |
Undefined Bond Stereocenter Count | 0 |
Covalently-Bonded Unit Count | 1 |
Compound Is Canonicalized | Yes |