866149-40-8
Product Name:
2-([4-ALLYL-5-(1,3-BENZODIOXOL-5-YL)-4H-1,2,4-TRIAZOL-3-YL]SULFANYL)-3-NITROPYRIDINE
Formula:
C17H13N5O4S
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COMPUTED DESCRIPTORS
| Molecular Weight | 383.4 g/mol |
|---|---|
| XLogP3 | 3.1 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 8 |
| Rotatable Bond Count | 5 |
| Exact Mass | 383.06882509 g/mol |
| Monoisotopic Mass | 383.06882509 g/mol |
| Topological Polar Surface Area | 133 Ų |
| Heavy Atom Count | 27 |
| Formal Charge | 0 |
| Complexity | 550 |
| 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 |