488844-13-9
Product Name:
3-cyclohexyl-4-[(E)-(3-methoxy-4-phenylmethoxyphenyl)methylideneamino]-1H-1,2,4-triazole-5-thione
Formula:
C23H26N4O2S
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COMPUTED DESCRIPTORS
| Molecular Weight | 422.5 g/mol |
|---|---|
| XLogP3 | 5.1 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 5 |
| Rotatable Bond Count | 7 |
| Exact Mass | 422.17764726 g/mol |
| Monoisotopic Mass | 422.17764726 g/mol |
| Topological Polar Surface Area | 90.5 Ų |
| Heavy Atom Count | 30 |
| Formal Charge | 0 |
| Complexity | 629 |
| 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 |