896169-06-5
Product Name:
4-(3,4-dichlorophenyl)-1-(4-methoxyphenyl)-N-(p-tolyl)-5,6,7,8-tetrahydro-2a,4a-diazacyclopenta[cd]azulene-2-carboxamide
Formula:
C31H27Cl2N3O2
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COMPUTED DESCRIPTORS
| Molecular Weight | 544.5 g/mol |
|---|---|
| XLogP3 | 8.3 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 2 |
| Rotatable Bond Count | 5 |
| Exact Mass | 543.1480325 g/mol |
| Monoisotopic Mass | 543.1480325 g/mol |
| Topological Polar Surface Area | 47.7 Ų |
| Heavy Atom Count | 38 |
| Formal Charge | 0 |
| Complexity | 815 |
| 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 |