84332-17-2
Product Name:
5-Pyrimidinecarboxamide, 2-amino-N-(1-ethyl-3-pyrrolidinyl)-4-methoxy- , (E)-2-butenedioate (1:1)
Formula:
C12H19N5O2.C4H4O4
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COMPUTED DESCRIPTORS
| Molecular Weight | 381.38 g/mol |
|---|---|
| Hydrogen Bond Donor Count | 4 |
| Hydrogen Bond Acceptor Count | 10 |
| Rotatable Bond Count | 6 |
| Exact Mass | 381.16483347 g/mol |
| Monoisotopic Mass | 381.16483347 g/mol |
| Topological Polar Surface Area | 168 Ų |
| Heavy Atom Count | 27 |
| Formal Charge | 0 |
| Complexity | 434 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 0 |
| Undefined Atom Stereocenter Count | 1 |
| Defined Bond Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| Covalently-Bonded Unit Count | 2 |
| Compound Is Canonicalized | Yes |