714938-91-7
Product Name:
(6E)-6-[[2,5-dimethyl-1-(2-methyl-5-nitrophenyl)pyrrol-3-yl]methylidene]-5-imino-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one
Formula:
C19H16N6O3S
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COMPUTED DESCRIPTORS
| Molecular Weight | 408.4 g/mol |
|---|---|
| XLogP3 | 3.7 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 6 |
| Rotatable Bond Count | 2 |
| Exact Mass | 408.10045957 g/mol |
| Monoisotopic Mass | 408.10045957 g/mol |
| Topological Polar Surface Area | 145 Ų |
| Heavy Atom Count | 29 |
| Formal Charge | 0 |
| Complexity | 834 |
| 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 |