338777-34-7
Product Name:
METHYL 2-[5-CYANO-3-METHYL-2,4-DIOXO-3,4-DIHYDRO-1(2H)-PYRIMIDINYL]-3-THIOPHENECARBOXYLATE
Formula:
C12H9N3O4S
Inquiry
CHEMICAL AND PHYSICAL PROPERTIES
| Solubility | >43.7 [ug/mL] (The mean of the results at pH 7.4) |
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COMPUTED DESCRIPTORS
| Molecular Weight | 291.28 g/mol |
|---|---|
| XLogP3 | 0.7 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 6 |
| Rotatable Bond Count | 3 |
| Exact Mass | 291.03137695 g/mol |
| Monoisotopic Mass | 291.03137695 g/mol |
| Topological Polar Surface Area | 119 Ų |
| Heavy Atom Count | 20 |
| Formal Charge | 0 |
| Complexity | 550 |
| 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 |