106271-61-8
Product Name:
2-[5-CYANO-2,4-DIOXO-3,4-DIHYDRO-1(2H)-PYRIMIDINYL]ETHYL 4-METHYLBENZENESULFONATE
Formula:
C14H13N3O5S
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COMPUTED DESCRIPTORS
| Molecular Weight | 335.34 g/mol |
|---|---|
| XLogP3 | 0.5 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 6 |
| Rotatable Bond Count | 5 |
| Exact Mass | 335.05759170 g/mol |
| Monoisotopic Mass | 335.05759170 g/mol |
| Topological Polar Surface Area | 125 Ų |
| Heavy Atom Count | 23 |
| Formal Charge | 0 |
| Complexity | 662 |
| 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 | 1 |
| Compound Is Canonicalized | Yes |