2172559-91-8
Product Name:
4-Pyrimidinamine, 5-(1,3-benzodioxol-5-yl)-N-[(3,5-dichlorophenyl)methyl]-, hydrochloride (1:1)
Formula:
C18H14Cl3N3O2
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COMPUTED DESCRIPTORS
| Molecular Weight | 410.7 g/mol |
|---|---|
| Hydrogen Bond Donor Count | 2 |
| Hydrogen Bond Acceptor Count | 5 |
| Rotatable Bond Count | 4 |
| Exact Mass | 409.015160 g/mol |
| Monoisotopic Mass | 409.015160 g/mol |
| Topological Polar Surface Area | 56.3 Ų |
| Heavy Atom Count | 26 |
| Formal Charge | 0 |
| Complexity | 435 |
| 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 | 2 |
| Compound Is Canonicalized | Yes |