845806-78-2
Product Name:
N-(4-chlorophenyl)-4-(4-fluorophenyl)-1-(4-methoxyphenyl)-5,6,7,8-tetrahydro-2a,4a-diazacyclopenta[cd]azulene-2-carboxamide
Formula:
C30H25ClFN3O2
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COMPUTED DESCRIPTORS
| Molecular Weight | 514.0 g/mol |
|---|---|
| XLogP3 | 7.4 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 3 |
| Rotatable Bond Count | 5 |
| Exact Mass | 513.1619329 g/mol |
| Monoisotopic Mass | 513.1619329 g/mol |
| Topological Polar Surface Area | 47.7 Ų |
| Heavy Atom Count | 37 |
| Formal Charge | 0 |
| Complexity | 779 |
| 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 |