488823-92-3
Product Name:
N-allyl-1-(4-bromophenyl)-4-(4-methoxyphenyl)-5,6,7,8-tetrahydro-2a,4a-diazacyclopenta[cd]azulene-2-carbothioamide
Formula:
C27H26BrN3OS
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COMPUTED DESCRIPTORS
| Molecular Weight | 520.5 g/mol |
|---|---|
| XLogP3 | 7.1 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 2 |
| Rotatable Bond Count | 6 |
| Exact Mass | 519.09800 g/mol |
| Monoisotopic Mass | 519.09800 g/mol |
| Topological Polar Surface Area | 62.7 Ų |
| Heavy Atom Count | 33 |
| Formal Charge | 0 |
| Complexity | 691 |
| 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 |