338399-97-6
Product Name:
Ethyl 5-([5-cyano-3-methyl-2,4-dioxo-3,4-dihydro-1(2H)-pyrimidinyl]methyl)-4,5-dihydro-3-isoxazolecarboxylate
Formula:
C13H14N4O5
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COMPUTED DESCRIPTORS
| Molecular Weight | 306.27 g/mol |
|---|---|
| XLogP3 | -0.4 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 7 |
| Rotatable Bond Count | 5 |
| Exact Mass | 306.09641956 g/mol |
| Monoisotopic Mass | 306.09641956 g/mol |
| Topological Polar Surface Area | 112 Ų |
| Heavy Atom Count | 22 |
| Formal Charge | 0 |
| Complexity | 630 |
| 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 |