956395-17-8
Product Name:
2-[[4,5-bis(4-methylphenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-[(E)-(3,5-dimethyl-1-phenylpyrazol-4-yl)methylideneamino]acetamide
Formula:
C30H29N7OS
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COMPUTED DESCRIPTORS
| Molecular Weight | 535.7 g/mol |
|---|---|
| XLogP3 | 6.1 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 6 |
| Rotatable Bond Count | 8 |
| Exact Mass | 535.21542975 g/mol |
| Monoisotopic Mass | 535.21542975 g/mol |
| Topological Polar Surface Area | 115 Ų |
| Heavy Atom Count | 39 |
| Formal Charge | 0 |
| Complexity | 807 |
| 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 |