949480-57-3
Product Name:
N-[3,5-bis(trifluoroMethyl)phenyl]-N'-[(1S,2R)-2,3-dihydro-2-hydroxy-1H-inden-1-yl]-Thiourea
Formula:
C18H14F6N2OS
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COMPUTED DESCRIPTORS
| Molecular Weight | 420.4 g/mol |
|---|---|
| XLogP3 | 4.2 |
| Hydrogen Bond Donor Count | 3 |
| Hydrogen Bond Acceptor Count | 8 |
| Rotatable Bond Count | 2 |
| Exact Mass | 420.07310322 g/mol |
| Monoisotopic Mass | 420.07310322 g/mol |
| Topological Polar Surface Area | 76.4 Ų |
| Heavy Atom Count | 28 |
| Formal Charge | 0 |
| Complexity | 547 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 2 |
| Undefined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| Covalently-Bonded Unit Count | 1 |
| Compound Is Canonicalized | Yes |