72412-13-6
Product Name:
5-Pyrimidinecarboxamide, N-((1-ethyl-2-pyrrolidinyl)methyl)-4-methoxy- 2-propyl-, fumarate, (2:3)
Formula:
2C16H26N4O2.3C4H4O4
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COMPUTED DESCRIPTORS
| Molecular Weight | 961.0 g/mol |
|---|---|
| Hydrogen Bond Donor Count | 8 |
| Hydrogen Bond Acceptor Count | 22 |
| Rotatable Bond Count | 20 |
| Exact Mass | 960.44402798 g/mol |
| Monoisotopic Mass | 960.44402798 g/mol |
| Topological Polar Surface Area | 359 Ų |
| Heavy Atom Count | 68 |
| Formal Charge | 0 |
| Complexity | 472 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 0 |
| Undefined Atom Stereocenter Count | 2 |
| Defined Bond Stereocenter Count | 3 |
| Undefined Bond Stereocenter Count | 0 |
| Covalently-Bonded Unit Count | 5 |
| Compound Is Canonicalized | Yes |