498538-45-7
Product Name:
4-[(E)-[(E)-2-methyl-3-phenylprop-2-enylidene]amino]-3-(3,4,5-trimethoxyphenyl)-1H-1,2,4-triazole-5-thione
Formula:
C21H22N4O3S
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COMPUTED DESCRIPTORS
| Molecular Weight | 410.5 g/mol |
|---|---|
| XLogP3 | 4 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 6 |
| Rotatable Bond Count | 7 |
| Exact Mass | 410.14126175 g/mol |
| Monoisotopic Mass | 410.14126175 g/mol |
| Topological Polar Surface Area | 99.8 Ų |
| Heavy Atom Count | 29 |
| Formal Charge | 0 |
| Complexity | 646 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 0 |
| Undefined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 2 |
| Undefined Bond Stereocenter Count | 0 |
| Covalently-Bonded Unit Count | 1 |
| Compound Is Canonicalized | Yes |