850902-21-5
Product Name:
(6E)-5-imino-6-[[1-(2-methoxy-5-methylphenyl)-2,5-dimethylpyrrol-3-yl]methylidene]-2-methyl-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one
Formula:
C21H21N5O2S
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COMPUTED DESCRIPTORS
| Molecular Weight | 407.5 g/mol |
|---|---|
| XLogP3 | 3.8 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 5 |
| Rotatable Bond Count | 3 |
| Exact Mass | 407.14159610 g/mol |
| Monoisotopic Mass | 407.14159610 g/mol |
| Topological Polar Surface Area | 108 Ų |
| Heavy Atom Count | 29 |
| Formal Charge | 0 |
| Complexity | 807 |
| 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 |