306980-09-6
Product Name:
ETHYL 5-CYANO-2-PHENYL-6-([3-(TRIFLUOROMETHYL)BENZYL]SULFANYL)NICOTINATE
Formula:
C23H17F3N2O2S
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COMPUTED DESCRIPTORS
| Molecular Weight | 442.5 g/mol |
|---|---|
| XLogP3 | 5.7 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 8 |
| Rotatable Bond Count | 7 |
| Exact Mass | 442.09628345 g/mol |
| Monoisotopic Mass | 442.09628345 g/mol |
| Topological Polar Surface Area | 88.3 Ų |
| Heavy Atom Count | 31 |
| Formal Charge | 0 |
| Complexity | 645 |
| 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 |