489405-36-9
Product Name:
N-(4-ethoxyphenyl)-4-(4-methoxyphenyl)-1-(p-tolyl)-5,6,7,8-tetrahydro-2a,4a-diazacyclopenta[cd]azulene-2-carbothioamide
Formula:
C33H33N3O2S
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COMPUTED DESCRIPTORS
| Molecular Weight | 535.7 g/mol |
|---|---|
| XLogP3 | 8 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 3 |
| Rotatable Bond Count | 7 |
| Exact Mass | 535.22934848 g/mol |
| Monoisotopic Mass | 535.22934848 g/mol |
| Topological Polar Surface Area | 71.9 Ų |
| Heavy Atom Count | 39 |
| Formal Charge | 0 |
| Complexity | 803 |
| 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 |