840485-12-3
Product Name:
(6E)-2-[(3,4-dimethoxyphenyl)methyl]-6-[(2,5-dimethyl-1-phenylpyrrol-3-yl)methylidene]-5-imino-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one
Formula:
C27H25N5O3S
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COMPUTED DESCRIPTORS
| Molecular Weight | 499.6 g/mol |
|---|---|
| XLogP3 | 5 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 6 |
| Rotatable Bond Count | 6 |
| Exact Mass | 499.16781085 g/mol |
| Monoisotopic Mass | 499.16781085 g/mol |
| Topological Polar Surface Area | 118 Ų |
| Heavy Atom Count | 36 |
| Formal Charge | 0 |
| Complexity | 959 |
| 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 |