338409-09-9
Product Name:
ETHYL 6-(4-[3-CHLORO-5-(TRIFLUOROMETHYL)-2-PYRIDINYL]PIPERAZINO)-5-CYANO-2-OXO-1,2-DIHYDRO-3-PYRIDINECARBOXYLATE
Formula:
C19H17ClF3N5O3
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COMPUTED DESCRIPTORS
| Molecular Weight | 455.8 g/mol |
|---|---|
| XLogP3 | 2.8 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 10 |
| Rotatable Bond Count | 5 |
| Exact Mass | 455.0972016 g/mol |
| Monoisotopic Mass | 455.0972016 g/mol |
| Topological Polar Surface Area | 98.6 Ų |
| Heavy Atom Count | 31 |
| Formal Charge | 0 |
| Complexity | 843 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 0 |
| Undefined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| Covalently-Bonded Unit Count | 1 |
| Compound Is Canonicalized | Yes |