488796-45-8
Product Name:
N-[(E)-(4-chlorophenyl)methylideneamino]-2-[[5-(3,4-dimethoxyphenyl)-4-ethyl-1,2,4-triazol-3-yl]sulfanyl]acetamide
Formula:
C21H22ClN5O3S
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COMPUTED DESCRIPTORS
| Molecular Weight | 459.9 g/mol |
|---|---|
| XLogP3 | 3.8 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 7 |
| Rotatable Bond Count | 9 |
| Exact Mass | 459.1131884 g/mol |
| Monoisotopic Mass | 459.1131884 g/mol |
| Topological Polar Surface Area | 116 Ų |
| Heavy Atom Count | 31 |
| Formal Charge | 0 |
| Complexity | 593 |
| 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 |