729561-82-4
Product Name:
Thieno[2,3-d]pyrimidine-6-carboxylic acid, 2-(3-chloropropyl)-1,4-dihydro-5-methyl-4-oxo-, ethyl ester
Formula:
C13H15ClN2O3S
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COMPUTED DESCRIPTORS
| Molecular Weight | 314.79 g/mol |
|---|---|
| XLogP3 | 2.5 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 5 |
| Rotatable Bond Count | 6 |
| Exact Mass | 314.0491912 g/mol |
| Monoisotopic Mass | 314.0491912 g/mol |
| Topological Polar Surface Area | 96 Ų |
| Heavy Atom Count | 20 |
| Formal Charge | 0 |
| Complexity | 430 |
| 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 |