477873-19-1
Product Name:
N-[3-CHLORO-5-(TRIFLUOROMETHYL)-2-PYRIDINYL]-N'-[(([3-(TRIFLUOROMETHYL)BENZYL]OXY)AMINO)METHYLENE]THIOUREA
Formula:
C16H11ClF6N4OS
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COMPUTED DESCRIPTORS
| Molecular Weight | 456.8 g/mol |
|---|---|
| XLogP3 | 4.8 |
| Hydrogen Bond Donor Count | 2 |
| Hydrogen Bond Acceptor Count | 9 |
| Rotatable Bond Count | 5 |
| Exact Mass | 456.0246288 g/mol |
| Monoisotopic Mass | 456.0246288 g/mol |
| Topological Polar Surface Area | 90.6 Ų |
| Heavy Atom Count | 29 |
| Formal Charge | 0 |
| Complexity | 577 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 0 |
| Undefined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| Covalently-Bonded Unit Count | 1 |
| Compound Is Canonicalized | Yes |