847393-46-8
Product Name:
2-((4-(4-methoxyphenyl)-5-((1-methyl-1H-pyrrol-2-yl)methyl)-4H-1,2,4-triazol-3-yl)thio)-N-(4-methylthiazol-2-yl)acetamide
Formula:
C21H22N6O2S2
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COMPUTED DESCRIPTORS
| Molecular Weight | 454.6 g/mol |
|---|---|
| XLogP3 | 3.3 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 7 |
| Rotatable Bond Count | 8 |
| Exact Mass | 454.12456631 g/mol |
| Monoisotopic Mass | 454.12456631 g/mol |
| Topological Polar Surface Area | 140 Ų |
| Heavy Atom Count | 31 |
| Formal Charge | 0 |
| Complexity | 594 |
| 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 |