15139-62-5
Product Name:
ETHYL 6-(BROMOMETHYL)-2-OXO-4-THIEN-2-YL-1,2,3,4-TETRAHYDROPYRIMIDINE-5-CARBOXYLATE
Formula:
C12H13BrN2O3S
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COMPUTED DESCRIPTORS
| Molecular Weight | 345.21 g/mol |
|---|---|
| XLogP3 | 1.3 |
| Hydrogen Bond Donor Count | 2 |
| Hydrogen Bond Acceptor Count | 4 |
| Rotatable Bond Count | 5 |
| Exact Mass | 343.98303 g/mol |
| Monoisotopic Mass | 343.98303 g/mol |
| Topological Polar Surface Area | 95.7 Ų |
| Heavy Atom Count | 19 |
| Formal Charge | 0 |
| Complexity | 414 |
| 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 |