126598-25-2
Product Name:
7H-1,2,4-Triazolo(3,4-b)(1,3,4)thiadiazine-7-acetic acid, 3-(1,3-benzo dioxol-5-yl)-6-(4-chlorophenyl)-
Formula:
C19H13ClN4O4S
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COMPUTED DESCRIPTORS
| Molecular Weight | 428.8 g/mol |
|---|---|
| XLogP3 | 3.6 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 8 |
| Rotatable Bond Count | 4 |
| Exact Mass | 428.0346038 g/mol |
| Monoisotopic Mass | 428.0346038 g/mol |
| Topological Polar Surface Area | 124 Ų |
| Heavy Atom Count | 29 |
| Formal Charge | 0 |
| Complexity | 662 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 0 |
| Undefined Atom Stereocenter Count | 1 |
| Defined Bond Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| Covalently-Bonded Unit Count | 1 |
| Compound Is Canonicalized | Yes |