847390-99-2
Product Name:
2-((5-((1-methyl-1H-pyrrol-2-yl)methyl)-4-(p-tolyl)-4H-1,2,4-triazol-3-yl)thio)-1-morpholinoethan-1-one
Formula:
C21H25N5O2S
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COMPUTED DESCRIPTORS
| Molecular Weight | 411.5 g/mol |
|---|---|
| XLogP3 | 2.2 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 5 |
| Rotatable Bond Count | 6 |
| Exact Mass | 411.17289623 g/mol |
| Monoisotopic Mass | 411.17289623 g/mol |
| Topological Polar Surface Area | 90.5 Ų |
| Heavy Atom Count | 29 |
| Formal Charge | 0 |
| Complexity | 539 |
| 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 |