74857-22-0
Product Name:
1,1′-Trimethylenedi-theobromine
Formula:
C17H20N8O4
Synonyms:
1,1′-(1,3-Propanediyl)bis[3,7-dihydro-3,7-dimethyl-1H-purine-2,6-dione;1,1′-Trimethylenedi-theobromine
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COMPUTED DESCRIPTORS
| Molecular Weight | 400.4 g/mol |
|---|---|
| XLogP3 | -0.4 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 6 |
| Rotatable Bond Count | 4 |
| Exact Mass | 400.16075115 g/mol |
| Monoisotopic Mass | 400.16075115 g/mol |
| Topological Polar Surface Area | 117 Ų |
| Heavy Atom Count | 29 |
| Formal Charge | 0 |
| Complexity | 687 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 0 |
| Undefined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| Covalently-Bonded Unit Count | 1 |
| Compound Is Canonicalized | Yes |