896351-97-6
Product Name:
1-(4-chlorophenyl)-2-((4-ethyl-5-(1H-indol-3-yl)-4H-1,2,4-triazol-3-yl)thio)ethan-1-one
Formula:
C20H17ClN4OS
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COMPUTED DESCRIPTORS
| Molecular Weight | 396.9 g/mol |
|---|---|
| XLogP3 | 4.4 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 4 |
| Rotatable Bond Count | 6 |
| Exact Mass | 396.0811600 g/mol |
| Monoisotopic Mass | 396.0811600 g/mol |
| Topological Polar Surface Area | 88.9 Ų |
| Heavy Atom Count | 27 |
| Formal Charge | 0 |
| Complexity | 516 |
| 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 |