716334-30-4
Product Name:
(6E)-6-[[2,5-dimethyl-1-(2-methyl-5-nitrophenyl)pyrrol-3-yl]methylidene]-5-imino-2-(2-methylphenyl)-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one
Formula:
C26H22N6O3S
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COMPUTED DESCRIPTORS
| Molecular Weight | 498.6 g/mol |
|---|---|
| XLogP3 | 5.7 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 6 |
| Rotatable Bond Count | 3 |
| Exact Mass | 498.14740976 g/mol |
| Monoisotopic Mass | 498.14740976 g/mol |
| Topological Polar Surface Area | 145 Ų |
| Heavy Atom Count | 36 |
| Formal Charge | 0 |
| Complexity | 1040 |
| 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 |