110406-46-7
Product Name:
1(2H)-Phthalazinone, 4-((4-chlorophenyl)methyl)-2-(hexahydro-1-(3-phen ylpropyl)-1H-azepin-4-yl)-, hydrochloride, hydrate (1:1:1)
Formula:
C30H32ClN3O.ClH.H2O
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COMPUTED DESCRIPTORS
| Molecular Weight | 522.5 g/mol |
|---|---|
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 3 |
| Rotatable Bond Count | 7 |
| Exact Mass | 521.2000681 g/mol |
| Monoisotopic Mass | 521.2000681 g/mol |
| Topological Polar Surface Area | 35.9 Ų |
| Heavy Atom Count | 36 |
| Formal Charge | 0 |
| Complexity | 712 |
| 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 | 2 |
| Compound Is Canonicalized | Yes |