606111-50-6
Product Name:
Benzoic acid, 3-[[[[4-ethyl-5-(2-furanyl)-4H-1,2,4-triazol-3-yl]thio]acetyl]amino]-, ethyl ester (9CI)
Formula:
C19H20N4O4S
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COMPUTED DESCRIPTORS
| Molecular Weight | 400.5 g/mol |
|---|---|
| XLogP3 | 2.5 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 7 |
| Rotatable Bond Count | 9 |
| Exact Mass | 400.12052631 g/mol |
| Monoisotopic Mass | 400.12052631 g/mol |
| Topological Polar Surface Area | 125 Ų |
| Heavy Atom Count | 28 |
| Formal Charge | 0 |
| Complexity | 538 |
| 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 |