37933-01-0
Product Name:
4-[(3-Chlorophenyl)Methyl]-2-(hexahydro-1-Methyl-1H-azepin-4-yl)-1(2H)-phthalazinone
Formula:
C22H24ClN3O
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COMPUTED DESCRIPTORS
| Molecular Weight | 381.9 g/mol |
|---|---|
| XLogP3 | 4.4 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 3 |
| Rotatable Bond Count | 3 |
| Exact Mass | 381.1607901 g/mol |
| Monoisotopic Mass | 381.1607901 g/mol |
| Topological Polar Surface Area | 35.9 Ų |
| Heavy Atom Count | 27 |
| Formal Charge | 0 |
| Complexity | 566 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 0 |
| Undefined Atom Stereocenter Count | 1 |
| Defined Bond Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| Covalently-Bonded Unit Count | 1 |
| Compound Is Canonicalized | Yes |