848987-21-3
Product Name:
1-(4-amino-1,2,5-oxadiazol-3-yl)-N-[(E)-1-(1,3-benzodioxol-5-yl)ethylideneamino]-5-thiophen-2-yltriazole-4-carboxamide
Formula:
C18H14N8O4S
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COMPUTED DESCRIPTORS
| Molecular Weight | 438.4 g/mol |
|---|---|
| XLogP3 | 1.8 |
| Hydrogen Bond Donor Count | 2 |
| Hydrogen Bond Acceptor Count | 11 |
| Rotatable Bond Count | 5 |
| Exact Mass | 438.08587213 g/mol |
| Monoisotopic Mass | 438.08587213 g/mol |
| Topological Polar Surface Area | 184 Ų |
| Heavy Atom Count | 31 |
| Formal Charge | 0 |
| Complexity | 702 |
| 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 |