477846-17-6
Product Name:
2-(CYCLOPENTYLSULFANYL)-5-([2,6-DINITRO-4-(TRIFLUOROMETHYL)PHENYL]SULFANYL)-1,3,4-THIADIAZOLE
Formula:
C14H11F3N4O4S3
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COMPUTED DESCRIPTORS
| Molecular Weight | 452.5 g/mol |
|---|---|
| XLogP3 | 5.4 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 12 |
| Rotatable Bond Count | 4 |
| Exact Mass | 451.98945285 g/mol |
| Monoisotopic Mass | 451.98945285 g/mol |
| Topological Polar Surface Area | 196 Ų |
| Heavy Atom Count | 28 |
| Formal Charge | 0 |
| Complexity | 562 |
| 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 |