497082-10-7
Product Name:
ethyl 4-[3-[(4-oxo-5,6,7,8-tetrahydro-3H-[1]benzothiolo[2,3-d]pyrimidin-2-yl)sulfanyl]propanoylamino]benzoate
Formula:
C22H23N3O4S2
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COMPUTED DESCRIPTORS
| Molecular Weight | 457.6 g/mol |
|---|---|
| XLogP3 | 3.9 |
| Hydrogen Bond Donor Count | 2 |
| Hydrogen Bond Acceptor Count | 7 |
| Rotatable Bond Count | 8 |
| Exact Mass | 457.11299857 g/mol |
| Monoisotopic Mass | 457.11299857 g/mol |
| Topological Polar Surface Area | 150 Ų |
| Heavy Atom Count | 31 |
| Formal Charge | 0 |
| Complexity | 724 |
| 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 |